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

Systemtic Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-o-phenetyl-amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3OCC)[N+](=O)[O-]

InChI

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