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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C17H18N4O2S/c1-4-23-15(22)9-24-17-13-8-20-21(16(13)18-10-19-17)14-6-5-11(2)7-12(14)3/h5-8,10H,4,9H2,1-3H3