N4-(2,5-dimethoxyphenyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-o-phenetyl-amine Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-4-30-17-8-6-5-7-14(17)23-19-18(25(26)27)20(22-12-21-19)24-15-11-13(28-2)9-10-16(15)29-3/h5-12H,4H2,1-3H3,(H2,21,22,23,24)