ethyl 3-[3-(2,5-dimethyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-(2,5-dimethyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-(2,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-4-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-(2,5-dimethyl-7-oxo-4-pyrazolo[1,5-a]pyrimidinyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-4-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[2-hydroxy-3-(7-keto-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-4-yl)propoxy]benzoic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2C(=CC(=O)N3C2=CC(=N3)C)C)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2C(=CC(=O)N3C2=CC(=N3)C)C)O

InChI

InChI=1S/C20H23N3O5/c1-4-27-20(26)15-6-5-7-17(10-15)28-12-16(24)11-22-14(3)9-19(25)23-18(22)8-13(2)21-23/h5-10,16,24H,4,11-12H2,1-3H3