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

Systemtic Name: methyl 3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-isopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-isoamyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C15H18N2O3S/c1-9(2)6-7-17-13(18)11-5-4-10(14(19)20-3)8-12(11)16-15(17)21/h4-5,8-9H,6-7H2,1-3H3,(H,16,21)