ethyl 3-[2-(4-iodophenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-iodophenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Openeye Name: ethyl 3-[2-(4-iodophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[2-(4-iodophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-iodophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Traditional Name: 3-[2-(4-iodophenyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid ethyl ester Formula: C18H18IN3O3 MolecularWeight: 451.25829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)I)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)I)C

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/h4-7,10,21H,3,8-9H2,1-2H3