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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-purin-7-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)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H22N6O4/c1-4-25-15(24)20-7-5-19(6-8-20)10-21-9-16-12-11(21)13(22)18(3)14(23)17(12)2/h9H,4-8,10H2,1-3H3/p+1