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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-N-(2-methoxyethyl)-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C26H23ClFN3O4S MolecularWeight: 527.994923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClFN3O4S/c1-34-13-12-29-24(32)16-6-11-19-23(14-16)30-26(36-15-20-21(27)4-3-5-22(20)28)31(25(19)33)17-7-9-18(35-2)10-8-17/h3-11,14H,12-13,15H2,1-2H3,(H,29,32)