N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(2,5-dimethylbenzyl)thio]-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC(C)C

InChI

InChI=1S/C27H33N3O2S/c1-17(2)15-30-26(32)23-12-11-20(25(31)28-22-7-5-6-8-22)14-24(23)29-27(30)33-16-21-13-18(3)9-10-19(21)4/h9-14,17,22H,5-8,15-16H2,1-4H3,(H,28,31)