[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H18N4O3 MolecularWeight: 278.30702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H18N4O3/c14-12-11(15-5-6-16-12)13(19)20-9-10(18)17-7-3-1-2-4-8-17/h5-6H,1-4,7-9H2,(H2,14,16)