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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-4-keto-quinazoline-7-carboxamide Formula: C28H25ClFN3O2S MolecularWeight: 522.033403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)CC5=CC=CC=C5

InChI

InChI=1S/C28H25ClFN3O2S/c29-23-11-6-12-24(30)22(23)17-36-28-32-25-15-19(26(34)31-20-9-4-5-10-20)13-14-21(25)27(35)33(28)16-18-7-2-1-3-8-18/h1-3,6-8,11-15,20H,4-5,9-10,16-17H2,(H,31,34)