N-[2,4-bis(fluoranyl)phenyl]-2-[[1-(2-methoxyphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[[1-(2-methoxyphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(2,4-difluorophenyl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(2,4-difluorophenyl)-2-[[4-keto-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C20H15F2N5O3S MolecularWeight: 443.426606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H15F2N5O3S/c1-30-16-5-3-2-4-15(16)27-18-12(9-23-27)19(29)26-20(25-18)31-10-17(28)24-14-7-6-11(21)8-13(14)22/h2-9,23H,10H2,1H3,(H,24,28)