N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C15H15N5OS/c1-9-4-3-5-10(2)13(9)19-12(21)7-22-15-11-6-18-20-14(11)16-8-17-15/h3-6,8H,7H2,1-2H3,(H,19,21)(H,16,17,18,20)