AG00C6IF

330785-81-4 | (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)

AG00C6IF

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CAS Number	330785-81-4
Catalog Number	AG00C6IF(AGN-PC-0R8ITO)
Chemical Name	(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
EC Number	801-713-7
IUPAC Name	ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
InChI	InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)
InChI Key	WLOQDGSMJNYRRC-UHFFFAOYSA-N
MDL Number	MFCD17012695
Molecular Formula	C16H18ClN3O3S
Molecular Weight	367.8504
SMILES	O=C(C1=CN=C(SC)N=C1NCC2=CC=C(OC)C(Cl)=C2)OCC
Synonyms	330785-81-4, Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate, (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester), AK142192, ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate, C16H18ClN3O3S, 4-(3-Chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylthiopyrimidine, ethyl 4-(3-chloro-4-methoxybenzylamino)-2-(methylthio)pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-,ethyl ester, ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate, WLOQDGSMJNYRRC-UHFFFAOYSA-N, Avanafil Intermediate II, SCHEMBL1679801, CTK4G9890, DTXSID50621709, AMX10166, BCP28333, CS-M2880, ZX-AT013433, 3646AH, MFCD17012695, ZINC52537272, AKOS015919121, ACN-028582, GE-0212, MCULE-7918771281, OR48263, QC-6129, RL03197, VP50319, 4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester, AJ-112091, AX8250967, 4CH-022401, FT-0698250, ST24046982, S06-0036, 2-methylthio-4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonylpyrimidine, 2-methylthio-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine, (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Me, 4-[(3-Chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester, 4-[(3-Chloro-4-methoxybenzyl)amino]-5-(ethoxycarbonyl)-2-(methylthio)pyrimidine, Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulphanyl)pyrimidine-5-carboxylate, 4-(3-Chloro-4-methoxy-benzylamino) -2-methylsulfanyl-pyrimidine- 5-carboxylic acid ethyl ester, 5-Pyrimidinecarboxylic acid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester, CS-O-32414, EC 801-713-7, Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate, Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid,4-[[(3-chloro-4-methoxyphenyl) methyl]amino]-2-(methylthio)-,ethyl ester, 5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-( Methylthio)-,ethyl ester,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	367.076g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	367.848g/mol
Monoisotopic Mass	367.076g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	98.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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