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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-3-24(15-6-4-5-13(2)9-15)20-18(25(26)27)19(21-11-22-20)23-14-7-8-16-17(10-14)29-12-28-16/h4-11H,3,12H2,1-2H3,(H,21,22,23)