[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)NC(=O)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)NC(=O)N2

InChI

InChI=1S/C13H17N3O5/c17-10-7-9(14-13(20)15-10)12(19)21-8-11(18)16-5-3-1-2-4-6-16/h7H,1-6,8H2,(H2,14,15,17,20)