methyl 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C23H21ClN4O4S/c1-12(2)10-28-21(30)15-6-4-13(22(31)32-3)8-18(15)26-23(28)33-11-19-25-17-7-5-14(24)9-16(17)20(29)27-19/h4-9,12H,10-11H2,1-3H3,(H,25,27,29)