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

Systemtic Name: ethyl 2-[4-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(7-butyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(7-butyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H29N6O4+ MolecularWeight: 393.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N6O4/c1-4-6-7-24-14-15(21(3)18(27)20-16(14)26)19-17(24)23-10-8-22(9-11-23)12-13(25)28-5-2/h4-12H2,1-3H3,(H,20,26,27)/p+1