N2,N2-dibutyl-6-chloranyl-N4-(pyren-1-ylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2,N2-dibutyl-6-chloranyl-N4-(pyren-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2,N2-dibutyl-6-chloro-N4-(pyren-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2,N2-dibutyl-6-chloro-N4-(1-pyrenylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N,2-N-dibutyl-6-chloro-4-N-(pyren-1-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: dibutyl-[4-chloro-6-(pyren-1-ylmethylamino)-s-triazin-2-yl]amine Formula: C28H30ClN5 MolecularWeight: 472.0243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC(=NC(=N1)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)Cl

Isomeric SMILES

CCCCN(CCCC)C1=NC(=NC(=N1)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)Cl

InChI

InChI=1S/C28H30ClN5/c1-3-5-16-34(17-6-4-2)28-32-26(29)31-27(33-28)30-18-22-13-12-21-11-10-19-8-7-9-20-14-15-23(22)25(21)24(19)20/h7-15H,3-6,16-18H2,1-2H3,(H,30,31,32,33)