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

Systemtic Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(3-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=C3)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC(=CC=C3)Cl

InChI

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