4-oxidanylidene-3-(3-oxidanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-(3-oxidanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(3-hydroxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-hydroxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(3-hydroxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3-hydroxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C12H11N2O4S- MolecularWeight: 279.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])NC(=S)N(C2=O)CCCO

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])NC(=S)N(C2=O)CCCO

InChI

InChI=1S/C12H12N2O4S/c15-5-1-4-14-10(16)8-3-2-7(11(17)18)6-9(8)13-12(14)19/h2-3,6,15H,1,4-5H2,(H,13,19)(H,17,18)/p-1