6-chloranyl-2-(3-dodecoxypropylamino)-8-methylsulfonyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 6-chloranyl-2-(3-dodecoxypropylamino)-8-methylsulfonyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 6-chloro-2-(3-dodecoxypropylamino)-8-methylsulfonyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 6-chloro-2-(3-dodecoxypropylamino)-8-methylsulfonyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 6-chloro-2-(3-dodecoxypropylamino)-8-methylsulfonyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 6-chloro-2-(3-lauryloxypropylamino)-8-mesyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C28H41ClN4O4S MolecularWeight: 565.16754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC1=NC(=O)N2C(=C(C(=C2Cl)C3=CC=CC=C3)S(=O)(=O)C)N1

Isomeric SMILES

CCCCCCCCCCCCOCCCNC1=NC(=O)N2C(=C(C(=C2Cl)C3=CC=CC=C3)S(=O)(=O)C)N1

InChI

InChI=1S/C28H41ClN4O4S/c1-3-4-5-6-7-8-9-10-11-15-20-37-21-16-19-30-27-31-26-24(38(2,35)36)23(22-17-13-12-14-18-22)25(29)33(26)28(34)32-27/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3,(H2,30,31,32,34)