tert-butyl (E)-3-[3-(3-methyl-4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-(3-methyl-4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-keto-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]acrylic acid tert-butyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)C=CC(=O)OC(C)(C)C)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)/C=C/C(=O)OC(C)(C)C)OCCC

InChI

InChI=1S/C25H32N4O4/c1-7-13-29-23-21(16(3)28-29)24(31)27-22(26-23)18-15-17(9-11-19(18)32-14-8-2)10-12-20(30)33-25(4,5)6/h9-12,15,28H,7-8,13-14H2,1-6H3/b12-10+