2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-14-9-15(2)20(16(3)10-14)26-19(28)12-29-22-18-11-25-27(21(18)23-13-24-22)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,26,28)