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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-piperazin-4-ium-1-yl-xanthine Formula: C21H23N6O2+ MolecularWeight: 391.44632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H22N6O2/c1-25-18-17(19(28)24-21(25)29)27(20(23-18)26-11-9-22-10-12-26)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,22H,9-13H2,1H3,(H,24,28,29)/p+1