2-hexyldecyl 4-oxidanylidene-2-(2-phenoxyethoxy)-7-pyridin-3-yl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: 2-hexyldecyl 4-oxidanylidene-2-(2-phenoxyethoxy)-7-pyridin-3-yl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: 2-hexyldecyl 4-oxo-2-(2-phenoxyethoxy)-7-(3-pyridyl)-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 4-oxo-2-(2-phenoxyethoxy)-7-(3-pyridinyl)-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 4-oxo-2-(2-phenoxyethoxy)-7-pyridin-3-yl-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 4-keto-2-(2-phenoxyethoxy)-7-(3-pyridyl)-6H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid 2-hexyldecyl ester Formula: C36H48N4O5 MolecularWeight: 616.79012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=NC2=O)OCCOC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=NC2=O)OCCOC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C36H48N4O5/c1-3-5-7-9-10-13-18-28(17-12-8-6-4-2)27-45-34(41)32-31(29-19-16-22-37-25-29)26-40-33(32)38-35(39-36(40)42)44-24-23-43-30-20-14-11-15-21-30/h11,14-16,19-22,25,28H,3-10,12-13,17-18,23-24,26-27H2,1-2H3