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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-N-(2-methoxyethyl)-3-(3-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=C(C=C3)F)Cl)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)C4=CC(=CC=C4)OC

InChI

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