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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4S/c1-29-17-9-14(10-18(30-2)20(17)31-3)26-19(28)12-32-22-16-11-25-27(21(16)23-13-24-22)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,26,28)