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

Systemtic Name: methyl 4-oxidanylidene-3-(2-oxidanylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-hydroxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2-hydroxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2-hydroxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)O

InChI

InChI=1S/C13H14N2O4S/c1-7(16)6-15-11(17)9-4-3-8(12(18)19-2)5-10(9)14-13(15)20/h3-5,7,16H,6H2,1-2H3,(H,14,20)