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

Systemtic Name: N4-(4-butoxyphenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H25N5O4/c1-3-5-14-31-19-12-8-17(9-13-19)26-22-20(27(28)29)21(23-15-24-22)25-16-6-10-18(11-7-16)30-4-2/h6-13,15H,3-5,14H2,1-2H3,(H2,23,24,25,26)