[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H18FN5O4S MolecularWeight: 467.472823

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C22H18FN5O4S/c1-33-22-25-10-17(28(22)14-8-6-13(23)7-9-14)21(31)32-12-19-26-16-5-3-2-4-15(16)20(30)27(19)11-18(24)29/h2-10H,11-12H2,1H3,(H2,24,29)