methyl 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C13H12N4O3S/c1-17-11-9(5-16-17)12(15-7-14-11)21-6-8-3-4-20-10(8)13(18)19-2/h3-5,7H,6H2,1-2H3