ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate

Systemtic Name: ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate Openeye Name: ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyric acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-3-14(17(22)23-4-2)24-16-13-10-20-21(15(13)18-11-19-16)12-8-6-5-7-9-12/h5-11,14H,3-4H2,1-2H3