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

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

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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=NC=CC=N6

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=NC=CC=N6

InChI

InChI=1S/C30H32N8O2S/c1-34-26-25(27(39)35(2)30(34)40)38(20-21-41-28-31-14-9-15-32-28)29(33-26)37-18-16-36(17-19-37)24(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,24H,16-21H2,1-2H3