N-(2,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)C

InChI

InChI=1S/C16H17N5OS/c1-10-4-5-13(11(2)6-10)20-14(22)8-23-16-12-7-19-21(3)15(12)17-9-18-16/h4-7,9H,8H2,1-3H3,(H,20,22)