tert-butyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid tert-butyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)23-14(22)10-24-16-13-9-20-21(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3