N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclopentyl-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclopentyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-cyclopentyl-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-17(2)15-28-24(30)21-13-12-19(23(29)26-20-10-6-7-11-20)14-22(21)27-25(28)31-16-18-8-4-3-5-9-18/h3-5,8-9,12-14,17,20H,6-7,10-11,15-16H2,1-2H3,(H,26,29)