N6-(4-butylphenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(4-butylphenyl)-N4-(2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(4-butylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C26H28N6 MolecularWeight: 424.54072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

InChI

InChI=1S/C26H28N6/c1-2-3-9-20-13-15-22(16-14-20)31-25-24(27)26(30-19-29-25)32(23-12-7-8-17-28-23)18-21-10-5-4-6-11-21/h4-8,10-17,19H,2-3,9,18,27H2,1H3,(H,29,30,31)