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5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine

5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine

Systemtic Name:5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine
Openeye Name:5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine
CAS Name:5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine
IUPAC Name:5-methyl-N-octadecyl-[1,2,4]triazino[5,6-b]indol-3-amine
Traditional Name:(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)-stearyl-amine
Formula: C28H45N5
MolecularWeight: 451.6904
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1


InChI

InChI=1S/C28H45N5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-28-30-27-26(31-32-28)24-21-18-19-22-25(24)33(27)2/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,29,30,32)


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