2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N,N-diethyl-3-(4-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C26H22ClF2N3O2S MolecularWeight: 513.986586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClF2N3O2S/c1-3-31(4-2)24(33)16-8-13-19-23(14-16)30-26(35-15-20-21(27)6-5-7-22(20)29)32(25(19)34)18-11-9-17(28)10-12-18/h5-14H,3-4,15H2,1-2H3