N2-[3-(2-azanylethoxy)phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(2-azanylethoxy)phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(2-aminoethoxy)phenyl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(2-aminoethoxy)phenyl]-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(2-aminoethoxy)phenyl]-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-[3-(2-aminoethoxy)anilino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C13H16N6O3 MolecularWeight: 304.30454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O3/c1-15-12-11(19(20)21)8-16-13(18-12)17-9-3-2-4-10(7-9)22-6-5-14/h2-4,7-8H,5-6,14H2,1H3,(H2,15,16,17,18)