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

Systemtic Name: N6-(4-butylphenyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-3-5-9-17-12-14-18(15-13-17)25-21-20(27(28)29)22(24-16-23-21)26(4-2)19-10-7-6-8-11-19/h6-8,10-16H,3-5,9H2,1-2H3,(H,23,24,25)