3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzamide Formula: C12H12N6O3 MolecularWeight: 288.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C12H12N6O3/c1-14-11-9(18(20)21)6-15-12(17-11)16-8-4-2-3-7(5-8)10(13)19/h2-6H,1H3,(H2,13,19)(H2,14,15,16,17)