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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-benzyl-8-(4-benzylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-benzylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(4-benzylpiperazino)-3-methyl-xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N6O2/c1-27-21-20(22(31)26-24(27)32)30(17-19-10-6-3-7-11-19)23(25-21)29-14-12-28(13-15-29)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3,(H,26,31,32)