3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)-8-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)-8-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)-8-(trifluoromethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-8-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)-8-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-8-(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(=NC3=C(C2=O)C=CC=C3C(F)(F)F)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=CC=C3C(F)(F)F)CSC4=NC=NC5=C4NC=N5)Cl

InChI

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