7-ethyl-3-methyl-8-[4-(phenylmethyl)piperazin-4-ium-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[4-(phenylmethyl)piperazin-4-ium-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-4-ium-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[4-(phenylmethyl)-1-piperazin-4-iumyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-4-ium-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazin-4-ium-1-yl)-7-ethyl-3-methyl-xanthine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH+](CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH+](CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H24N6O2/c1-3-25-15-16(22(2)19(27)21-17(15)26)20-18(25)24-11-9-23(10-12-24)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,21,26,27)/p+1