methyl 5-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C19H16N4O4S/c1-11-3-5-12(6-4-11)23-16-14(9-20-23)17(24)22-19(21-16)28-10-13-7-8-15(27-13)18(25)26-2/h3-9,20H,10H2,1-2H3