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

Systemtic Name: methyl 2-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H23N6O4+ MolecularWeight: 351.38092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O4/c1-4-21-11-12(18(2)15(24)17-13(11)23)16-14(21)20-7-5-19(6-8-20)9-10(22)25-3/h4-9H2,1-3H3,(H,17,23,24)/p+1