1-Cyclopentyl-7-cyclopropyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid - CAS 937599-78-5
Catalog: |
BB049159 |
Product Name: |
1-Cyclopentyl-7-cyclopropyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid |
CAS: |
937599-78-5 |
Synonyms: |
1-cyclopentyl-7-cyclopropyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid; Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-cyclopentyl-7-cyclopropyl-1,2,3,4-tetrahydro-4-oxo-2-thioxo-; 1-cyclopentyl-7-cyclopropyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid; 1-cyclopentyl-7-cyclopropyl-4-oxo-2-sulfanylhydropyridino[2,3-d]pyrimidine-5-carboxylic acid |
IUPAC Name: | 1-cyclopentyl-7-cyclopropyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid |
Description: | 1-Cyclopentyl-7-cyclopropyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-D]pyrimidine-5-carboxylic acid (CAS# 937599-78-5 ) is a useful research chemical. |
Molecular Weight: | 331.39 |
Molecular Formula: | C16H17N3O3S |
Canonical SMILES: | C1CCC(C1)N2C3=C(C(=CC(=N3)C4CC4)C(=O)O)C(=O)NC2=S |
InChI: | InChI=1S/C16H17N3O3S/c20-14-12-10(15(21)22)7-11(8-5-6-8)17-13(12)19(16(23)18-14)9-3-1-2-4-9/h7-9H,1-6H2,(H,21,22)(H,18,20,23) |
InChI Key: | SLESXAMDCPVFHW-UHFFFAOYSA-N |
Boiling Point: | 634.8±65.0 °C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 545 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.09906259 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.09906259 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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