1-Cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid - CAS 937599-76-3
Catalog: |
BB049158 |
Product Name: |
1-Cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid |
CAS: |
937599-76-3 |
Synonyms: |
1-cyclopropyl-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid; 1-cyclopropyl-7-methyl-4-oxo-2-sulfanylhydropyridino[2,3-d]pyrimidine-5-carboxylic acid; Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-cyclopropyl-1,2,3,4-tetrahydro-7-methyl-4-oxo-2-thioxo-; 1-cyclopropyl-7-methyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid |
IUPAC Name: | 1-cyclopropyl-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid |
Description: | 1-Cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid (CAS# 937599-76-3 ) is a useful research chemical. |
Molecular Weight: | 277.30 |
Molecular Formula: | C12H11N3O3S |
Canonical SMILES: | CC1=CC(=C2C(=O)NC(=S)N(C2=N1)C3CC3)C(=O)O |
InChI: | InChI=1S/C12H11N3O3S/c1-5-4-7(11(17)18)8-9(13-5)15(6-2-3-6)12(19)14-10(8)16/h4,6H,2-3H2,1H3,(H,17,18)(H,14,16,19) |
InChI Key: | NKPQVJKHLBESQK-UHFFFAOYSA-N |
Boiling Point: | 599.8±60.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 452 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.05211239 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.05211239 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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