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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[3-[(4-methyl-2-pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[3-[(4-methylpyrimidin-2-yl)thio]propyl]xanthine Formula: C31H34N8O2S MolecularWeight: 582.71906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

InChI

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