3-methyl-7-(naphthalen-1-ylmethyl)-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(1-piperidin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(piperidin-1-ium-1-ylmethyl)xanthine Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

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