(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-(dimethylaminomethyl)benzoate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-(dimethylaminomethyl)benzoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-(dimethylaminomethyl)benzoate CAS Name: 4-(dimethylaminomethyl)benzoic acid (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester IUPAC Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-(dimethylaminomethyl)benzoate Traditional Name: 4-(dimethylaminomethyl)benzoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

InChI

InChI=1S/C16H17N5O3/c1-20(2)8-11-3-5-12(6-4-11)16(23)24-10-21-14-13(7-19-21)15(22)18-9-17-14/h3-7,9,19H,8,10H2,1-2H3