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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

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