tert-butyl 3-[5-(5-ethanoyl-2-propoxy-phenyl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methyl-propanoate

Systemtic Name: tert-butyl 3-[5-(5-ethanoyl-2-propoxy-phenyl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methyl-propanoate Openeye Name: tert-butyl 3-[5-(5-acetyl-2-propoxy-phenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methyl-propanoate CAS Name: 3-[5-(5-acetyl-2-propoxyphenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(5-acetyl-2-propoxyphenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methylpropanoate Traditional Name: 3-[5-(5-acetyl-2-propoxy-phenyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methyl-propionic acid tert-butyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CC(C)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CC(C)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C26H34N4O5/c1-8-12-34-20-11-10-17(16(4)31)13-18(20)23-27-21-19(9-2)29-30(22(21)24(32)28-23)14-15(3)25(33)35-26(5,6)7/h10-11,13,15H,8-9,12,14H2,1-7H3,(H,27,28,32)