N6-(4-butylphenyl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(m-tolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(m-tolyl)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)NC3=CC=CC(=C3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C)N

InChI

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