N-(2,6-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H19N5OS/c1-10-6-5-7-11(2)14(10)21-16(23)12(3)24-17-13-8-20-22(4)15(13)18-9-19-17/h5-9,12H,1-4H3,(H,21,23)