6-(benzimidazol-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(benzimidazol-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(benzimidazol-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(1-benzimidazolyl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(benzimidazol-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H22N6 MolecularWeight: 358.43958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N6/c1-2-3-6-15-9-11-16(12-10-15)26-20-19(22)21(24-13-23-20)27-14-25-17-7-4-5-8-18(17)27/h4-5,7-14H,2-3,6,22H2,1H3,(H,23,24,26)