butyl 4-[3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid butyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4/c1-3-4-16-35-26(34)19-10-12-20(13-11-19)29-23(32)14-15-30-18(2)28-24-22(25(30)33)17-27-31(24)21-8-6-5-7-9-21/h5-13,17H,3-4,14-16H2,1-2H3,(H,29,32)