N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H13FN6OS2 MolecularWeight: 436.485223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C20H13FN6OS2/c21-12-6-7-15-16(8-12)30-20(25-15)26-17(28)10-29-19-14-9-24-27(18(14)22-11-23-19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,25,26,28)