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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)13-25-10-8-24(9-11-25)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21)/p+1