| CAS Number | 885524-05-0 |
| Catalog Number | AG019O1S |
| Chemical Name | methyl 7-methyl-4-oxo-2-sulfanyl-3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate |
| IUPAC Name | methyl 7-methyl-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H9N3O3S/c1-4-3-5(9(15)16-2)6-7(11-4)12-10(17)13-8(6)14/h3H,1-2H3,(H2,11,12,13,14,17) |
| InChI Key | RRZACLOGHOJTKS-UHFFFAOYSA-N |
| MDL Number | MFCD06660829 |
| Molecular Formula | C10H9N3O3S |
| Molecular Weight | 251.2618 |
| SMILES | COC(C1=C2C(N=C(NC2=O)S)=NC(C)=C1)=O |
| Synonyms | methyl 7-methyl-4-oxo-2-sulfanyl-3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate,
885524-05-0,
methyl 2-mercapto-7-methyl-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate,
AC1O2S27,
AC1Q42U1,
CTK6I9117,
CTK8G0931,
ZINC3888356,
AKOS009041212,
NE38403,
EN300-12511,
methyl 7-methyl-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate,
ZINC03888356,
CID6235466,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.26g/mol |
| Monoisotopic Mass | 251.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number