2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2,6-bis(oxidanylidene)-3H-purine-9-carboxylate

Systemtic Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2,6-bis(oxidanylidene)-3H-purine-9-carboxylate Openeye Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2,6-dioxo-3H-purine-9-carboxylate CAS Name: 2,6-dioxo-3H-purine-9-carboxylic acid 2-(1,1-dimethyl-2-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2,6-dioxo-3H-purine-9-carboxylate Traditional Name: 2,6-diketo-3H-purine-9-carboxylic acid 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl ester Formula: C14H20N5O4+ MolecularWeight: 322.3397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CCOC(=O)N2C=NC3=C2NC(=O)NC3=O)C

Isomeric SMILES

C[N+]1(CCCC1CCOC(=O)N2C=NC3=C2NC(=O)NC3=O)C

InChI

InChI=1S/C14H19N5O4/c1-19(2)6-3-4-9(19)5-7-23-14(22)18-8-15-10-11(18)16-13(21)17-12(10)20/h8-9H,3-7H2,1-2H3,(H-,16,17,20,21)/p+1