methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-5-6-9-22-17(24)14-8-7-13(18(25)26-4)10-15(14)21-19(22)27-11-16(23)20-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,20,23)