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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(4-benzylpiperidino)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C31H33N5O2 MolecularWeight: 507.62602

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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=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H33N5O2/c1-33-29-28(30(37)34(2)31(33)38)36(20-25-13-8-12-24-11-6-7-14-26(24)25)27(32-29)21-35-17-15-23(16-18-35)19-22-9-4-3-5-10-22/h3-14,23H,15-21H2,1-2H3