N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-cyclohexyl-N-(4-fluorobenzyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C21H24FN5OS/c1-26-20-18(11-25-26)21(24-14-23-20)29-13-19(28)27(17-5-3-2-4-6-17)12-15-7-9-16(22)10-8-15/h7-11,14,17H,2-6,12-13H2,1H3