2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid 2-[4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C17H25N6O4+ MolecularWeight: 377.4182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCOC(=O)C4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCOC(=O)C4CC4

InChI

InChI=1S/C17H24N6O4/c1-20-13-12(14(24)21(2)17(20)26)18-16(19-13)23-7-5-22(6-8-23)9-10-27-15(25)11-3-4-11/h11H,3-10H2,1-2H3,(H,18,19)/p+1