N4-(1-methoxypropan-2-yl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C13H16N6O3 MolecularWeight: 304.30454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=NC=C2

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=NC=C2

InChI

InChI=1S/C13H16N6O3/c1-9(7-22-2)17-12-11(19(20)21)13(16-8-15-12)18-10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16,17,18)