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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3,5-dimethylphenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C27H25ClFN3O2S MolecularWeight: 510.022703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H25ClFN3O2S/c1-4-10-30-25(33)18-8-9-20-24(14-18)31-27(35-15-21-22(28)6-5-7-23(21)29)32(26(20)34)19-12-16(2)11-17(3)13-19/h5-9,11-14H,4,10,15H2,1-3H3,(H,30,33)