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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C26H23ClFN3O3S MolecularWeight: 511.995523

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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)CC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H23ClFN3O3S/c1-34-12-11-29-24(32)18-8-10-21-23(13-18)30-26(35-16-19-7-9-20(28)14-22(19)27)31(25(21)33)15-17-5-3-2-4-6-17/h2-10,13-14H,11-12,15-16H2,1H3,(H,29,32)