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

Systemtic Name: 4-oxidanylidene-1-prop-2-enyl-7-pyridin-3-yl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: 1-allyl-4-oxo-7-(3-pyridyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-oxo-1-prop-2-enyl-7-(3-pyridinyl)-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-oxo-1-prop-2-enyl-7-pyridin-3-yl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-allyl-4-keto-7-(3-pyridyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate Formula: C16H11N4O3S- MolecularWeight: 339.34854

Click to see the large picture

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)/p-1