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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-piperazin-4-ium-1-yl-xanthine Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H24N6O2/c1-25-19-18(20(29)26(2)22(25)30)28(21(24-19)27-12-10-23-11-13-27)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,23H,10-14H2,1-2H3/p+1