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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C16H17N5O3S/c1-21-15-11(7-19-21)16(18-9-17-15)25-8-14(22)20-12-6-10(23-2)4-5-13(12)24-3/h4-7,9H,8H2,1-3H3,(H,20,22)