N-[[3-(2-chlorophenyl)-5-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[[3-(2-chlorophenyl)-5-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[[3-(2-chlorophenyl)-5-fluoro-4-oxo-quinazolin-2-yl]methyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[[3-(2-chlorophenyl)-5-fluoro-4-oxo-2-quinazolinyl]methyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[[3-(2-chlorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[[3-(2-chlorophenyl)-5-fluoro-4-keto-quinazolin-2-yl]methyl]-2-(7H-purin-6-ylthio)acetamide Formula: C22H15ClFN7O2S MolecularWeight: 495.916603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC(=O)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC(=O)CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C22H15ClFN7O2S/c23-12-4-1-2-7-15(12)31-16(30-14-6-3-5-13(24)18(14)22(31)33)8-25-17(32)9-34-21-19-20(27-10-26-19)28-11-29-21/h1-7,10-11H,8-9H2,(H,25,32)(H,26,27,28,29)