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

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H18FN5O2S MolecularWeight: 375.420523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C17H18FN5O2S/c1-22(8-11-4-5-14(25-3)13(18)6-11)15(24)9-26-17-12-7-21-23(2)16(12)19-10-20-17/h4-7,10H,8-9H2,1-3H3