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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCSC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCSC6=CC=CC=C6

InChI

InChI=1S/C32H34N6O2S/c1-35-29-28(30(39)34-32(35)40)38(18-11-23-41-26-16-9-4-10-17-26)31(33-29)37-21-19-36(20-22-37)27(24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-17,27H,11,18-23H2,1H3,(H,34,39,40)