6-(3-ethoxy-3-oxidanylidene-propyl)-2-(4-iodophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 6-(3-ethoxy-3-oxidanylidene-propyl)-2-(4-iodophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-(3-ethoxy-3-oxo-propyl)-2-(4-iodophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 6-(3-ethoxy-3-oxopropyl)-2-(4-iodophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-(3-ethoxy-3-oxopropyl)-2-(4-iodophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-(3-ethoxy-3-keto-propyl)-2-(4-iodophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C18H17IN3O3- MolecularWeight: 450.25035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C(=CC(=N2)C3=CC=C(C=C3)I)N=C1C)[O-]

Isomeric SMILES

CCOC(=O)CCC1=C(N2C(=CC(=N2)C3=CC=C(C=C3)I)N=C1C)[O-]

InChI

InChI=1S/C18H18IN3O3/c1-3-25-17(23)9-8-14-11(2)20-16-10-15(21-22(16)18(14)24)12-4-6-13(19)7-5-12/h4-7,10,24H,3,8-9H2,1-2H3/p-1