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

Systemtic Name: N6-(4-butoxyphenyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-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)N(CC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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