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

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-8(2)7-16-12(17)10-5-4-9(13(18)19-3)6-11(10)15-14(16)20/h4-6,8H,7H2,1-3H3,(H,15,20)