methyl 3-azanyl-6-chloranyl-5-(prop-2-ynylamino)pyrazine-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-chloranyl-5-(prop-2-ynylamino)pyrazine-2-carboxylate Openeye Name: methyl 3-amino-6-chloro-5-(prop-2-ynylamino)pyrazine-2-carboxylate CAS Name: 3-amino-6-chloro-5-(prop-2-ynylamino)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-chloro-5-(prop-2-ynylamino)pyrazine-2-carboxylate Traditional Name: 3-amino-6-chloro-5-(propargylamino)pyrazinic acid methyl ester Formula: C9H9ClN4O2 MolecularWeight: 240.64636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C(=N1)Cl)NCC#C)N

Isomeric SMILES

COC(=O)C1=C(N=C(C(=N1)Cl)NCC#C)N

InChI

InChI=1S/C9H9ClN4O2/c1-3-4-12-8-6(10)13-5(7(11)14-8)9(15)16-2/h1H,4H2,2H3,(H3,11,12,14)