N6-(4-butylphenyl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-methyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-methyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-methyl-phenyl-amine Formula: C21H25N5 MolecularWeight: 347.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5/c1-3-4-8-16-11-13-17(14-12-16)25-20-19(22)21(24-15-23-20)26(2)18-9-6-5-7-10-18/h5-7,9-15H,3-4,8,22H2,1-2H3,(H,23,24,25)