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

Systemtic Name: propan-2-yl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: isopropyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid isopropyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-11(2)22-14(21)9-23-16-13-8-19-20(15(13)17-10-18-16)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3