N6-hexadecyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-hexadecyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-hexadecyl-N4-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-hexadecyl-N4-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-hexadecyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cetylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C26H44N6 MolecularWeight: 440.66776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NCC2=CN=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NCC2=CN=CC=C2

InChI

InChI=1S/C26H44N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-25-24(27)26(32-22-31-25)30-21-23-17-16-18-28-20-23/h16-18,20,22H,2-15,19,21,27H2,1H3,(H2,29,30,31,32)