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

Systemtic Name: N4-(4-butoxyphenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-3-5-14-30-19-12-10-18(11-13-19)26-22-20(27(28)29)21(23-15-24-22)25-17-8-6-16(4-2)7-9-17/h6-13,15H,3-5,14H2,1-2H3,(H2,23,24,25,26)