[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)C(=O)OCC(=O)N(CCC#N)CCC#N)N

Isomeric SMILES

C1=CN=C(C(=N1)C(=O)OCC(=O)N(CCC#N)CCC#N)N

InChI

InChI=1S/C13H14N6O3/c14-3-1-7-19(8-2-4-15)10(20)9-22-13(21)11-12(16)18-6-5-17-11/h5-6H,1-2,7-9H2,(H2,16,18)