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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C19H17N5O4 MolecularWeight: 379.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O4/c1-2-23(14-6-4-3-5-7-14)19-17(24(25)26)18(20-11-21-19)22-13-8-9-15-16(10-13)28-12-27-15/h3-11H,2,12H2,1H3,(H,20,21,22)