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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-25-19-17(11-23-25)20(22-13-21-19)28-12-18(26)24-14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)