methyl 3-azanyl-6-chloranyl-5-[(phenylmethyl)amino]pyrazine-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-chloranyl-5-[(phenylmethyl)amino]pyrazine-2-carboxylate Openeye Name: methyl 3-amino-5-(benzylamino)-6-chloro-pyrazine-2-carboxylate CAS Name: 3-amino-6-chloro-5-[(phenylmethyl)amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate Traditional Name: 3-amino-5-(benzylamino)-6-chloro-pyrazinic acid methyl ester Formula: C13H13ClN4O2 MolecularWeight: 292.72092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C(=N1)Cl)NCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(N=C(C(=N1)Cl)NCC2=CC=CC=C2)N

InChI

InChI=1S/C13H13ClN4O2/c1-20-13(19)9-11(15)18-12(10(14)17-9)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,15,16,18)