N4-(3,5-dimethylphenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-4-28-17-7-5-15(6-8-17)23-19-18(25(26)27)20(22-12-21-19)24-16-10-13(2)9-14(3)11-16/h5-12H,4H2,1-3H3,(H2,21,22,23,24)