[4-dodecoxy-6-(hexylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate

Systemtic Name: [4-dodecoxy-6-(hexylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate Openeye Name: [4-dodecoxy-6-(hexylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [4-dodecoxy-6-(hexylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-dodecoxy-6-(hexylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [4-(hexylamino)-6-lauryloxy-s-triazin-2-yl]methyl ester Formula: C25H43N5O3 MolecularWeight: 461.64062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NC(=NC(=N1)NCCCCCC)COC(=O)CC#N

Isomeric SMILES

CCCCCCCCCCCCOC1=NC(=NC(=N1)NCCCCCC)COC(=O)CC#N

InChI

InChI=1S/C25H43N5O3/c1-3-5-7-9-10-11-12-13-14-16-20-32-25-29-22(21-33-23(31)17-18-26)28-24(30-25)27-19-15-8-6-4-2/h3-17,19-21H2,1-2H3,(H,27,28,29,30)