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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-10-6-11(2)15(12(3)7-10)22-17(24)13(4)25-18-14-8-21-23(5)16(14)19-9-20-18/h6-9,13H,1-5H3,(H,22,24)