1-butyl-7-methyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 1-butyl-7-methyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 1-butyl-7-methyl-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 1-butyl-7-methyl-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 1-butyl-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 1-butyl-4-keto-7-methyl-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CC(=N2)C)C(=O)O)C(=O)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=CC(=N2)C)C(=O)O)C(=O)NC1=S

InChI

InChI=1S/C13H15N3O3S/c1-3-4-5-16-10-9(11(17)15-13(16)20)8(12(18)19)6-7(2)14-10/h6H,3-5H2,1-2H3,(H,18,19)(H,15,17,20)