6-(2,3-dihydroindol-1-yl)-N4-hexadecyl-pyrimidine-4,5-diamine

Systemtic Name: 6-(2,3-dihydroindol-1-yl)-N4-hexadecyl-pyrimidine-4,5-diamine Openeye Name: N4-hexadecyl-6-indolin-1-yl-pyrimidine-4,5-diamine CAS Name: 6-(2,3-dihydroindol-1-yl)-N4-hexadecylpyrimidine-4,5-diamine IUPAC Name: 6-(2,3-dihydroindol-1-yl)-4-N-hexadecylpyrimidine-4,5-diamine Traditional Name: (5-amino-6-indolin-1-yl-pyrimidin-4-yl)-cetyl-amine Formula: C28H45N5 MolecularWeight: 451.6904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)N2CCC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)N2CCC3=CC=CC=C32

InChI

InChI=1S/C28H45N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-30-27-26(29)28(32-23-31-27)33-22-20-24-18-15-16-19-25(24)33/h15-16,18-19,23H,2-14,17,20-22,29H2,1H3,(H,30,31,32)