N4-(1,3-benzodioxol-5-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H11N5O4 MolecularWeight: 289.24684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H11N5O4/c1-13-11-10(17(18)19)12(15-5-14-11)16-7-2-3-8-9(4-7)21-6-20-8/h2-5H,6H2,1H3,(H2,13,14,15,16)