ethyl 2,5-dimethyl-4-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H21N5O4/c1-4-31-22(30)19-14(3)25-13(2)18(19)17(28)11-26-12-23-20-16(21(26)29)10-24-27(20)15-8-6-5-7-9-15/h5-10,12,25H,4,11H2,1-3H3