N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-ethyl-2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-ethyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-N-ethyl-2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H20FN5OS MolecularWeight: 421.490503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5OS/c1-2-27(13-16-6-4-3-5-7-16)20(29)14-30-22-19-12-26-28(21(19)24-15-25-22)18-10-8-17(23)9-11-18/h3-12,15H,2,13-14H2,1H3