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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[2-(phenylthio)ethyl]xanthine Formula: C31H32N6O2S MolecularWeight: 552.68978

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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)CCSC6=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)CCSC6=CC=CC=C6

InChI

InChI=1S/C31H32N6O2S/c1-34-28-27(29(38)33-31(34)39)37(21-22-40-25-15-9-4-10-16-25)30(32-28)36-19-17-35(18-20-36)26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26H,17-22H2,1H3,(H,33,38,39)