N6-(4-butylphenyl)-N4-(2-chlorophenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(2-chlorophenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(2-chlorophenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2-chlorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-chlorophenyl)amine Formula: C20H22ClN5 MolecularWeight: 367.87518

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=C3Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3Cl)N

InChI

InChI=1S/C20H22ClN5/c1-2-3-6-14-9-11-15(12-10-14)25-19-18(22)20(24-13-23-19)26-17-8-5-4-7-16(17)21/h4-5,7-13H,2-3,6,22H2,1H3,(H2,23,24,25,26)