2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C25H27ClFN3O2S MolecularWeight: 488.017183

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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=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H27ClFN3O2S/c1-15(2)13-30-24(32)18-11-10-16(23(31)28-17-6-3-4-7-17)12-22(18)29-25(30)33-14-19-20(26)8-5-9-21(19)27/h5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3,(H,28,31)