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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 7-benzyl-8-(4-benzyl-1-piperidyl)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(4-benzylpiperidino)-3-methyl-xanthine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-28-22-21(23(31)27-25(28)32)30(17-20-10-6-3-7-11-20)24(26-22)29-14-12-19(13-15-29)16-18-8-4-2-5-9-18/h2-11,19H,12-17H2,1H3,(H,27,31,32)