6-fluoranyl-7-isocyano-2-(3-methylbutoxy)-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 6-fluoranyl-7-isocyano-2-(3-methylbutoxy)-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 6-fluoro-7-isocyano-2-isopentyloxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 6-fluoro-7-isocyano-2-(3-methylbutoxy)-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 6-fluoro-7-isocyano-2-(3-methylbutoxy)-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 6-fluoro-2-isoamoxy-7-isocyano-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C18H17FN4O2 MolecularWeight: 340.351583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=NC(=O)N2C(=C(C(=C2F)[N+]#[C-])C3=CC=CC=C3)N1

Isomeric SMILES

CC(C)CCOC1=NC(=O)N2C(=C(C(=C2F)[N+]#[C-])C3=CC=CC=C3)N1

InChI

InChI=1S/C18H17FN4O2/c1-11(2)9-10-25-17-21-16-13(12-7-5-4-6-8-12)14(20-3)15(19)23(16)18(24)22-17/h4-8,11H,9-10H2,1-2H3,(H,21,22,24)