N6-(4-butoxyphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethylphenyl)amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

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