2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H21N7OS/c1-12-18(13(2)27-26-12)23-17(29)11-30-21-16-10-22-28(15-6-4-3-5-7-15)20(16)24-19(25-21)14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,23,29)(H,26,27)