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

Systemtic Name: N6-(4-butoxyphenyl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butoxyphenyl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butoxyphenyl)-N4-ethyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butoxyanilino)pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C22H27N5O MolecularWeight: 377.48268

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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

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC)C3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O/c1-3-5-15-28-19-13-11-17(12-14-19)26-21-20(23)22(25-16-24-21)27(4-2)18-9-7-6-8-10-18/h6-14,16H,3-5,15,23H2,1-2H3,(H,24,25,26)