AG00FAGF

7400-05-7 | 6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE

AG00FAGF

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CAS Number	7400-05-7
Catalog Number	AG00FAGF(AGN-PC-0U49A0)
Chemical Name	6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
IUPAC Name	6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI	InChI=1S/C10H17N3O3S/c1-3-15-7(16-4-2)5-6-8(11)12-10(17)13-9(6)14/h7H,3-5H2,1-2H3,(H4,11,12,13,14,17)
InChI Key	GKSGXTLNGDMLRR-UHFFFAOYSA-N
MDL Number	MFCD02094192
Molecular Formula	C10H17N3O3S
Molecular Weight	259.3253
NSC Number	59249
SMILES	O=C(C(CC(OCC)OCC)=C(N)N1)NC1=S
UNII	YVX56FS6AO
Synonyms	7400-05-7, 6-AMINO-5-(2,2-DIETHOXYETHYL)-2-MERCAPTOPYRIMIDIN-4-OL, 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine, NSC59249, UNII-YVX56FS6AO, YVX56FS6AO, NSC 59249, 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol, AK140915, 6-Amino-5(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine ,97%, GKSGXTLNGDMLRR-UHFFFAOYSA-N, AC1MHFKL, NCIOpen2_002353, SCHEMBL1002933, CTK5D9104, KS-00000RTF, DTXSID70224791, AB2613, MFCD02094192, NSC-59249, ZINC17316301, AKOS022172964, CA-1255, DS-7168, RP29241, AJ-70055, HC210529, AX8281125, DB-074772, FT-0661729, FT-0687944, J-518232, 6-Amino-5-(2,2-diethoxy-ethyl)-2-mercapto-pyrimidin-4-ol, 6-amino-5-(2,2-diethoxyethyl)-2-mercapto-pyrimidin-4-ol, 6-amino-5-(2,2-diethoxyethyl)-2-sulfanyl-pyrimidin-4-ol, 6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-, 6-Amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone, CID3003781, 6-Amino-5-(2,2-diethoxyethyl)-4-hydroxy-2-mercaptopyrimidine, 97% - 1G 1g,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.099g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	259.324g/mol
Monoisotopic Mass	259.099g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number