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

Systemtic Name: 8-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Openeye Name: 8-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one CAS Name: 8-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-(propylthio)-7H-purin-2-one IUPAC Name: 8-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Traditional Name: 8-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-(propylthio)-7H-purin-2-one Formula: C25H27ClN6OS MolecularWeight: 495.03948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN6OS/c1-2-16-34-32-23-21(17-27-25(32)33)28-24(29-23)31-14-12-30(13-15-31)22(18-6-4-3-5-7-18)19-8-10-20(26)11-9-19/h3-11,17,22H,2,12-16H2,1H3,(H,28,29)