N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H20FN5O2S MolecularWeight: 437.489903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN5O2S/c1-27(12-15-8-9-19(30-2)18(23)10-15)20(29)13-31-22-17-11-26-28(21(17)24-14-25-22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3