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Home > Pyridines > 846036-77-9
846036-77-9 | 4-METHYL-2-(METHYLSULFANYL)-7H,8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
CAS No: 846036-77-9 Catalog No: AG00G9R8 MDL No:MFCD18632640
Product Description
Catalog Number:
AG00G9R8
Chemical Name:
4-METHYL-2-(METHYLSULFANYL)-7H,8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
CAS Number:
846036-77-9
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD18632640
IUPAC Name:
4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C9H9N3OS/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChI Key:
QELLOHDXPWBISF-UHFFFAOYSA-N
SMILES:
CSc1nc(C)c2c(n1)[nH]c(=O)cc2
Properties
Complexity:
269
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:
1.2
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