ethyl 2-[4-oxidanylidene-2-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-2-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-(2-benzyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate CAS Name: 2-[4-oxo-2-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate Traditional Name: 2-(2-benzyl-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl)acetic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=O)C2=CN(NC2=N1)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NC(=O)C2=CN(NC2=N1)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-2-23-14(21)8-13-17-15-12(16(22)18-13)10-20(19-15)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,18,19,22)