(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-(dimethylamino)-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-(dimethylamino)-3-phenyl-propanoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-(dimethylamino)-3-phenyl-propanoate CAS Name: 2-(dimethylamino)-3-phenylpropanoic 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 2-(dimethylamino)-3-phenylpropanoate Traditional Name: 2-(dimethylamino)-3-phenyl-propionic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3/c1-21(2)14(8-12-6-4-3-5-7-12)17(24)25-11-22-15-13(9-20-22)16(23)19-10-18-15/h3-7,9-10,14,20H,8,11H2,1-2H3