1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]urea Openeye Name: 1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]urea CAS Name: 1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]urea IUPAC Name: 1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]urea Traditional Name: 1-(4-chlorophenyl)-3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]urea Formula: C12H12ClN7O3 MolecularWeight: 337.72178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)NNC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)NNC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN7O3/c1-14-10-9(20(22)23)11(16-6-15-10)18-19-12(21)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,17,19,21)(H2,14,15,16,18)