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

Systemtic Name: ethyl 4-[[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N6O5+ MolecularWeight: 395.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H26N6O5/c1-4-28-17(26)22-7-5-21(6-8-22)11-12-18-14-13(23(12)9-10-27-3)15(24)19-16(25)20(14)2/h4-11H2,1-3H3,(H,19,24,25)/p+1