hexadecyl N-(8-cyano-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)carbamate

Systemtic Name: hexadecyl N-(8-cyano-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)carbamate Openeye Name: hexadecyl N-[8-cyano-4-oxo-7-(3-pyridyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl]carbamate CAS Name: N-[8-cyano-4-oxo-7-(3-pyridinyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl]carbamic acid hexadecyl ester IUPAC Name: hexadecyl N-(8-cyano-4-oxo-7-pyridin-3-yl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)carbamate Traditional Name: N-[8-cyano-4-keto-7-(3-pyridyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl]carbamic acid cetyl ester Formula: C29H40N6O3 MolecularWeight: 520.6663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NC1=NC(=O)N2C=C(C(=C2N1)C#N)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NC1=NC(=O)N2C=C(C(=C2N1)C#N)C3=CN=CC=C3

InChI

InChI=1S/C29H40N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-38-29(37)34-27-32-26-24(20-30)25(22-35(26)28(36)33-27)23-17-16-18-31-21-23/h16-18,21-22H,2-15,19H2,1H3,(H2,32,33,34,36,37)