8-[4-(diphenylmethyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-1,3-dimethyl-7-[2-(phenylthio)ethyl]xanthine Formula: C32H34N6O2S MolecularWeight: 566.71636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCSC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCSC6=CC=CC=C6

InChI

InChI=1S/C32H34N6O2S/c1-34-29-28(30(39)35(2)32(34)40)38(22-23-41-26-16-10-5-11-17-26)31(33-29)37-20-18-36(19-21-37)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3