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

Systemtic Name: ethyl 4-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2,6-diketo-3-methyl-7H-purin-8-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H21N6O4+ MolecularWeight: 337.35434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O4/c1-3-24-14(23)20-6-4-19(5-7-20)8-9-15-10-11(16-9)18(2)13(22)17-12(10)21/h3-8H2,1-2H3,(H,15,16)(H,17,21,22)/p+1