4-oxidanylidene-1-prop-2-enyl-7-pyridin-3-yl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-prop-2-enyl-7-pyridin-3-yl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 1-allyl-4-oxo-7-(3-pyridyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 4-oxo-1-prop-2-enyl-7-(3-pyridinyl)-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-oxo-1-prop-2-enyl-7-pyridin-3-yl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 1-allyl-4-keto-7-(3-pyridyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=CC(=N2)C3=CN=CC=C3)C(=O)O)C(=O)NC1=S

Isomeric SMILES

C=CCN1C2=C(C(=CC(=N2)C3=CN=CC=C3)C(=O)O)C(=O)NC1=S

InChI

InChI=1S/C16H12N4O3S/c1-2-6-20-13-12(14(21)19-16(20)24)10(15(22)23)7-11(18-13)9-4-3-5-17-8-9/h2-5,7-8H,1,6H2,(H,22,23)(H,19,21,24)