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

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl propanoate Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C16H25N6O4+ MolecularWeight: 365.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC[NH+]1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(=O)OCC[NH+]1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O4/c1-4-11(23)26-10-9-21-5-7-22(8-6-21)15-17-12-13(18-15)19(2)16(25)20(3)14(12)24/h4-10H2,1-3H3,(H,17,18)/p+1