N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H19N5O4/c1-12-7-13(2)9-15(8-12)24-20-18(25(26)27)19(21-11-22-20)23-14-3-4-16-17(10-14)29-6-5-28-16/h3-4,7-11H,5-6H2,1-2H3,(H2,21,22,23,24)