3-methyl-8-(4-methylpiperidin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidino)-7-(1-naphthylmethyl)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H25N5O2/c1-15-10-12-27(13-11-15)22-24-20-19(21(29)25-23(30)26(20)2)28(22)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,10-14H2,1-2H3,(H,25,29,30)