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

Systemtic Name: N4-(4-butylphenyl)-N6-(4-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-(p-tolyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-(4-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(p-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=NC=NC(=C2N)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N5/c1-3-4-5-16-8-12-18(13-9-16)26-21-19(22)20(23-14-24-21)25-17-10-6-15(2)7-11-17/h6-14H,3-5,22H2,1-2H3,(H2,23,24,25,26)