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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[3-(2-pyrimidylthio)propyl]xanthine Formula: C30H32N8O2S MolecularWeight: 568.69248

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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=NC=CC=N6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCSC6=NC=CC=N6

InChI

InChI=1S/C30H32N8O2S/c1-35-26-25(27(39)34-30(35)40)38(16-9-21-41-28-31-14-8-15-32-28)29(33-26)37-19-17-36(18-20-37)24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-15,24H,9,16-21H2,1H3,(H,34,39,40)