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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-12(2)23-15(22)10-24-17-14-8-20-21(16(14)18-11-19-17)9-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3