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

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-(morpholin-4-ylmethyl)benzoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-(morpholinomethyl)benzoate CAS Name: 3-(4-morpholinylmethyl)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 3-(morpholin-4-ylmethyl)benzoate Traditional Name: 3-(morpholinomethyl)benzoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC(=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

C1COCCN1CC2=CC=CC(=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C18H19N5O4/c24-17-15-9-21-23(16(15)19-11-20-17)12-27-18(25)14-3-1-2-13(8-14)10-22-4-6-26-7-5-22/h1-3,8-9,11,21H,4-7,10,12H2