N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-isobutyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(4-methylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-isobutyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCN4C=CN=C4)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCN4C=CN=C4)C(=O)N2CC(C)C

InChI

InChI=1S/C27H31N5O2S/c1-19(2)16-32-26(34)23-10-9-22(25(33)29-11-4-13-31-14-12-28-18-31)15-24(23)30-27(32)35-17-21-7-5-20(3)6-8-21/h5-10,12,14-15,18-19H,4,11,13,16-17H2,1-3H3,(H,29,33)