methyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O3S/c1-24-18(23)15-8-7-13(25-15)10-26-17-14-9-21-22(16(14)19-11-20-17)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3