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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[2-methyl-3-(phenylthio)propyl]xanthine Formula: C33H36N6O2S MolecularWeight: 580.74294

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C(=O)NC2=O)C)CSC6=CC=CC=C6

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C(=O)NC2=O)C)CSC6=CC=CC=C6

InChI

InChI=1S/C33H36N6O2S/c1-24(23-42-27-16-10-5-11-17-27)22-39-29-30(36(2)33(41)35-31(29)40)34-32(39)38-20-18-37(19-21-38)28(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,24,28H,18-23H2,1-2H3,(H,35,40,41)