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

Systemtic Name: ethyl 2-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H25N6O4+ MolecularWeight: 365.4075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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