1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(1-naphthylmethyl)xanthine Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H26N6O2/c1-25-11-13-28(14-12-25)22-24-20-19(21(30)27(3)23(31)26(20)2)29(22)15-17-9-6-8-16-7-4-5-10-18(16)17/h4-10H,11-15H2,1-3H3/p+1