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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-6-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=CC=C3Cl)F)CC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4

InChI

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