methyl N'-(6-chloranyl-5-nitro-pyrimidin-4-yl)carbamimidothioate

Systemtic Name: methyl N'-(6-chloranyl-5-nitro-pyrimidin-4-yl)carbamimidothioate Openeye Name: 3-(6-chloro-5-nitro-pyrimidin-4-yl)-2-methyl-isothiourea CAS Name: N'-(6-chloro-5-nitro-4-pyrimidinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(6-chloro-5-nitropyrimidin-4-yl)carbamimidothioate Traditional Name: 3-(6-chloro-5-nitro-pyrimidin-4-yl)-2-methyl-isothiourea Formula: C6H6ClN5O2S MolecularWeight: 247.66214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C(=NC=N1)Cl)[N+](=O)[O-])N

Isomeric SMILES

CS/C(=N\C1=C(C(=NC=N1)Cl)[N+](=O)[O-])/N

InChI

InChI=1S/C6H6ClN5O2S/c1-15-6(8)11-5-3(12(13)14)4(7)9-2-10-5/h2H,1H3,(H2,8,9,10,11)