butyl 4-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid butyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O4/c1-2-3-15-34-25(33)18-9-11-19(12-10-18)28-22(31)13-14-29-17-26-23-21(24(29)32)16-27-30(23)20-7-5-4-6-8-20/h4-12,16-17H,2-3,13-15H2,1H3,(H,28,31)