methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-benzylsulfanyl-3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3-[2-(1H-imidazol-5-yl)ethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(benzylthio)-3-[2-(1H-imidazol-5-yl)ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CN=CN4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CN=CN4

InChI

InChI=1S/C22H20N4O3S/c1-29-21(28)16-7-8-18-19(11-16)25-22(30-13-15-5-3-2-4-6-15)26(20(18)27)10-9-17-12-23-14-24-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,24)