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Home > Pyridines > 902576-09-4
902576-09-4 | 2-(METHYLTHIO)PYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE
CAS No: 902576-09-4 Catalog No: AG003612 MDL No:MFCD14756706
Product Description
Catalog Number:
AG003612
Chemical Name:
2-(METHYLTHIO)PYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE
CAS Number:
902576-09-4
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
MDL Number:
MFCD14756706
IUPAC Name:
2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
InChI:
InChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12)
InChI Key:
XOFAOHNADNLNSI-UHFFFAOYSA-N
SMILES:
CSc1nc2cc[nH]c(=O)c2cn1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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