1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(2S)-2-methyl-1-piperidyl]methyl]-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(2S)-2-methyl-1-piperidinyl]methyl]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[(2S)-2-methylpiperidino]methyl]-7-(1-naphthylmethyl)xanthine Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCCN1CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H29N5O2/c1-17-9-6-7-14-29(17)16-21-26-23-22(24(31)28(3)25(32)27(23)2)30(21)15-19-12-8-11-18-10-4-5-13-20(18)19/h4-5,8,10-13,17H,6-7,9,14-16H2,1-3H3/t17-/m0/s1