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

Systemtic Name: methyl 4-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)CCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4S/c1-35-26(34)18-11-12-20-22(15-18)29-27(31(25(20)33)14-13-17-7-3-2-4-8-17)36-16-23-28-21-10-6-5-9-19(21)24(32)30-23/h2-12,15H,13-14,16H2,1H3,(H,28,30,32)