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

Systemtic Name: ethyl 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3Cl

InChI

InChI=1S/C15H13ClN4O2S/c1-2-22-13(21)8-23-15-10-7-19-20(14(10)17-9-18-15)12-6-4-3-5-11(12)16/h3-7,9H,2,8H2,1H3