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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N6O4+ MolecularWeight: 351.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

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