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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C18H13ClN6OS MolecularWeight: 396.85342

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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=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H13ClN6OS/c19-16-14(7-4-8-20-16)24-15(26)10-27-18-13-9-23-25(17(13)21-11-22-18)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,26)