2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C29H27ClFN3O2S MolecularWeight: 536.059983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F)C

InChI

InChI=1S/C29H27ClFN3O2S/c1-17-12-18(2)14-21(13-17)34-28(36)22-11-10-19(27(35)32-20-6-3-4-7-20)15-26(22)33-29(34)37-16-23-24(30)8-5-9-25(23)31/h5,8-15,20H,3-4,6-7,16H2,1-2H3,(H,32,35)