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

Systemtic Name: 1,3-dimethyl-8-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazino]-7H-purine-2,6-quinone Formula: C17H26N7O3+ MolecularWeight: 376.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C17H25N7O3/c1-20-14-13(15(26)21(2)17(20)27)18-16(19-14)24-9-7-23(8-10-24)12(25)11-22-5-3-4-6-22/h3-11H2,1-2H3,(H,18,19)/p+1