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

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-isobutyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

InChI

InChI=1S/C13H14N2O3S/c1-7(2)6-15-11(16)9-4-3-8(12(17)18)5-10(9)14-13(15)19/h3-5,7H,6H2,1-2H3,(H,14,19)(H,17,18)/p-1