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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N5O3S/c1-28-16-8-14(9-17(10-16)29-2)25-19(27)12-30-21-18-11-24-26(20(18)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)