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

Systemtic Name: ethyl 4-[[7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[7-(2-amino-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[7-(2-amino-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24N7O5+ MolecularWeight: 394.40566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H23N7O5/c1-3-28-16(27)22-6-4-21(5-7-22)9-11-18-13-12(23(11)8-10(17)24)14(25)19-15(26)20(13)2/h3-9H2,1-2H3,(H2,17,24)(H,19,25,26)/p+1