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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C30H32N8O2S MolecularWeight: 568.69248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=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)SCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C

InChI

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