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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide CAS Name: N-(3,4-difluorophenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3,4-difluorophenyl)acetamide Formula: C20H15F2N5OS MolecularWeight: 411.427806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H15F2N5OS/c21-16-7-6-14(8-17(16)22)26-18(28)11-29-20-15-9-25-27(19(15)23-12-24-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,26,28)