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

Systemtic Name: N6-(4-butylphenyl)-N4-(diphenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzhydryl-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(diphenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzhydryl-6-N-(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C27H29N5 MolecularWeight: 423.55266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H29N5/c1-2-3-10-20-15-17-23(18-16-20)31-26-24(28)27(30-19-29-26)32-25(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-19,25H,2-3,10,28H2,1H3,(H2,29,30,31,32)