N6-butyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-butyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-butyl-2-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-butyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-butyl-2-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(benzylamino)-2-phenyl-pyrimidin-4-yl]-butyl-amine Formula: C21H25N5 MolecularWeight: 347.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1N)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC(=C1N)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5/c1-2-3-14-23-20-18(22)21(24-15-16-10-6-4-7-11-16)26-19(25-20)17-12-8-5-9-13-17/h4-13H,2-3,14-15,22H2,1H3,(H2,23,24,25,26)