5-nitro-N6-prop-2-enyl-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-prop-2-enyl-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-prop-2-enyl-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-prop-2-enyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(2-pyridylamino)pyrimidin-4-yl]amine Formula: C12H12N6O2 MolecularWeight: 272.26268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=N2

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=N2

InChI

InChI=1S/C12H12N6O2/c1-2-6-14-11-10(18(19)20)12(16-8-15-11)17-9-5-3-4-7-13-9/h2-5,7-8H,1,6H2,(H2,13,14,15,16,17)