8-[3,3-bis(4-chlorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one

Systemtic Name: 8-[3,3-bis(4-chlorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Openeye Name: 8-[3,3-bis(4-chlorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one CAS Name: 8-[3,3-bis(4-chlorophenyl)-4-methyl-1-piperazinyl]-3-(propylthio)-7H-purin-2-one IUPAC Name: 8-[3,3-bis(4-chlorophenyl)-4-methylpiperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Traditional Name: 8-[3,3-bis(4-chlorophenyl)-4-methyl-piperazino]-3-(propylthio)-7H-purin-2-one Formula: C25H26Cl2N6OS MolecularWeight: 529.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(C(C3)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(C(C3)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C25H26Cl2N6OS/c1-3-14-35-33-22-21(15-28-24(33)34)29-23(30-22)32-13-12-31(2)25(16-32,17-4-8-19(26)9-5-17)18-6-10-20(27)11-7-18/h4-11,15H,3,12-14,16H2,1-2H3,(H,29,30)