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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C31H34N8O2S MolecularWeight: 582.71906

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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=NC=CC=N6

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C(=O)NC2=O)C)CSC6=NC=CC=N6

InChI

InChI=1S/C31H34N8O2S/c1-22(21-42-29-32-14-9-15-33-29)20-39-26-27(36(2)31(41)35-28(26)40)34-30(39)38-18-16-37(17-19-38)25(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,22,25H,16-21H2,1-2H3,(H,35,40,41)