methyl N'-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]carbamimidothioate

Systemtic Name: methyl N'-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]carbamimidothioate Openeye Name: 3,5-diamino-N-[(E)-[amino(methylsulfanyl)methylene]amino]-6-chloro-pyrazine-2-carboxamide CAS Name: N'-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]carbamimidothioate Traditional Name: 3,5-diamino-N-[(E)-[amino-(methylthio)methylene]amino]-6-chloro-pyrazinamide Formula: C7H10ClN7OS MolecularWeight: 275.7186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC(=O)C1=C(N=C(C(=N1)Cl)N)N)N

Isomeric SMILES

CS/C(=N/NC(=O)C1=C(N=C(C(=N1)Cl)N)N)/N

InChI

InChI=1S/C7H10ClN7OS/c1-17-7(11)15-14-6(16)2-4(9)13-5(10)3(8)12-2/h1H3,(H2,11,15)(H,14,16)(H4,9,10,13)