methyl 3-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C20H26N2O4S/c1-6-7-10-22-17(24)14-9-8-13(18(25)26-5)11-15(14)21-19(22)27-12-16(23)20(2,3)4/h8-9,11H,6-7,10,12H2,1-5H3