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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-10(15(22)23-2)24-16-18-13-12(14(21)19-16)8-17-20(13)9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3