AG00GLWA

850628-76-1 | 5-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

AG00GLWA

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CAS Number	850628-76-1
Catalog Number	AG00GLWA(AGN-PC-0OJLKF)
Chemical Name	5-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
IUPAC Name	5-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
InChI	InChI=1S/C9H9N3OS/c1-5-3-7(13)11-8-6(5)4-10-9(12-8)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChI Key	PDPYQIHQFJOCBV-UHFFFAOYSA-N
MDL Number	MFCD19980621
Molecular Formula	C9H9N3OS
Molecular Weight	207.2523
SMILES	CSc1ncc2c(C)cc(=O)[nH]c2n1
Synonyms	850628-76-1, 5-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one, 5-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one, 5-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one, 5-Methyl-2-(methylthio)pyrido-[2,3-d]pyrimidin-7(8H)-one, KS-000004AS, MFCD19980621, ZINC34484924, AKOS025290928, FCH1362341, SB11198, AK170904, AS-33932, CS-0050441, 5-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one, AldrichCPR, CID11333240, 10-methyl-4-methylsulfanyl-3,5,7-triazabicyclo[4.4.0]deca-1,3,5,9-tetraen-8-one,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.047g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.251g/mol
Monoisotopic Mass	207.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	80.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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