N-(4-bromanyl-2-chloranyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C14H11BrClN5OS MolecularWeight: 412.69204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C14H11BrClN5OS/c1-21-13-9(5-19-21)14(18-7-17-13)23-6-12(22)20-11-3-2-8(15)4-10(11)16/h2-5,7H,6H2,1H3,(H,20,22)