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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-purin-8-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-pentyl-8-purinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-amyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N6O4+ MolecularWeight: 421.51382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H32N6O4/c1-5-7-8-9-26-15(14-24-10-12-25(13-11-24)20(29)30-6-2)21-17-16(26)18(27)23(4)19(28)22(17)3/h5-14H2,1-4H3/p+1