N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C16H16ClN5O3S/c1-22-15-9(6-20-22)16(19-8-18-15)26-7-14(23)21-11-5-12(24-2)10(17)4-13(11)25-3/h4-6,8H,7H2,1-3H3,(H,21,23)