methyl 2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[4-(diethylamino)-4-oxo-butyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[4-(diethylamino)-4-oxobutyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(diethylamino)-4-oxobutyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[4-(diethylamino)-4-keto-butyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-4-26(5-2)21(28)12-9-15-32-24-25-20-16-17(23(30)31-3)13-14-19(20)22(29)27(24)18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3