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

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-acetonylsulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-(2-oxopropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-(2-oxopropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 2-(acetonylthio)-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-4-5-8-19-15(21)13-7-6-12(16(22)23-3)9-14(13)18-17(19)24-10-11(2)20/h6-7,9H,4-5,8,10H2,1-3H3