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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C20H22N6O5 MolecularWeight: 426.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O5/c1-4-31-13-7-5-12(6-8-13)22-20-24-18(21)17(26(27)28)19(25-20)23-15-11-14(29-2)9-10-16(15)30-3/h5-11H,4H2,1-3H3,(H4,21,22,23,24,25)