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

Systemtic Name: 2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(1-phenethyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-phenyl-acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c27-19(25-17-9-5-2-6-10-17)14-28-21-18-13-24-26(20(18)22-15-23-21)12-11-16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,25,27)