methyl 3,5-bis(azanyl)-6-phenylsulfanyl-pyrazine-2-carboxylate

Systemtic Name: methyl 3,5-bis(azanyl)-6-phenylsulfanyl-pyrazine-2-carboxylate Openeye Name: methyl 3,5-diamino-6-phenylsulfanyl-pyrazine-2-carboxylate CAS Name: 3,5-diamino-6-(phenylthio)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3,5-diamino-6-phenylsulfanylpyrazine-2-carboxylate Traditional Name: 3,5-diamino-6-(phenylthio)pyrazinic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C(=N1)SC2=CC=CC=C2)N)N

Isomeric SMILES

COC(=O)C1=C(N=C(C(=N1)SC2=CC=CC=C2)N)N

InChI

InChI=1S/C12H12N4O2S/c1-18-12(17)8-9(13)16-10(14)11(15-8)19-7-5-3-2-4-6-7/h2-6H,1H3,(H4,13,14,16)