(1-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (1-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl ester IUPAC Name: (1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-keto-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=CN1)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=CN1)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-20-15-12(9-17-20)16(22)19-13(18-15)10-23-14(21)7-8-24-11-5-3-2-4-6-11/h2-6,9,17H,7-8,10H2,1H3