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

Systemtic Name: methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C14H11ClN4O2S MolecularWeight: 334.78074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN4O2S/c1-21-12(20)7-22-14-11-6-18-19(13(11)16-8-17-14)10-4-2-9(15)3-5-10/h2-6,8H,7H2,1H3