N4-(3,4-dimethylphenyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C20H22N6O3 MolecularWeight: 394.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N6O3/c1-4-29-16-9-7-14(8-10-16)23-20-24-18(21)17(26(27)28)19(25-20)22-15-6-5-12(2)13(3)11-15/h5-11H,4H2,1-3H3,(H4,21,22,23,24,25)