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

Systemtic Name: N-(4-fluorophenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[(1-phenethyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5OS/c22-16-6-8-17(9-7-16)26-19(28)13-29-21-18-12-25-27(20(18)23-14-24-21)11-10-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H,26,28)