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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=C(C=CC=C4Cl)F)C

InChI

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