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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 7-benzyl-8-[(4-benzyl-1-piperidyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(4-benzylpiperidino)methyl]-1,3-dimethyl-xanthine Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-29-25-24(26(33)30(2)27(29)34)32(18-22-11-7-4-8-12-22)23(28-25)19-31-15-13-21(14-16-31)17-20-9-5-3-6-10-20/h3-12,21H,13-19H2,1-2H3