3-(2-chlorophenyl)-5-(7H-purin-6-ylsulfanylmethyl)-2-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-5-(7H-purin-6-ylsulfanylmethyl)-2-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-5-(7H-purin-6-ylsulfanylmethyl)-2-(trifluoromethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-5-[(7H-purin-6-ylthio)methyl]-2-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-5-(7H-purin-6-ylsulfanylmethyl)-2-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-5-[(7H-purin-6-ylthio)methyl]-2-(trifluoromethyl)quinazolin-4-one Formula: C21H12ClF3N6OS MolecularWeight: 488.87279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C3=C(C=CC=C3N=C2C(F)(F)F)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C3=C(C=CC=C3N=C2C(F)(F)F)CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C21H12ClF3N6OS/c22-12-5-1-2-7-14(12)31-19(32)15-11(4-3-6-13(15)30-20(31)21(23,24)25)8-33-18-16-17(27-9-26-16)28-10-29-18/h1-7,9-10H,8H2,(H,26,27,28,29)