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

Systemtic Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanoate Openeye Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanoate CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanoate Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]butyric acid ethyl ester Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O2S/c1-3-14(17(23)24-4-2)25-16-13-9-21-22(15(13)19-10-20-16)12-7-5-6-11(18)8-12/h5-10,14H,3-4H2,1-2H3