methyl 3-butyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-benzylsulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(benzylthio)-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-3-4-12-23-19(24)17-11-10-16(20(25)26-2)13-18(17)22-21(23)27-14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3