1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-piperidino-xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O2/c1-25-20-19(21(29)26(2)23(25)30)28(22(24-20)27-13-6-3-7-14-27)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12H,3,6-7,13-15H2,1-2H3