ethyl 2-methyl-2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-methyl-2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate CAS Name: 2-methyl-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Traditional Name: 2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H20N4O3S/c1-5-25-16(24)18(3,4)26-17-20-14-13(15(23)21-17)10-19-22(14)12-8-6-11(2)7-9-12/h6-10,19H,5H2,1-4H3