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

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(m-tolyl)propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H17N5OS/c1-10-5-4-6-12(7-10)20-15(22)11(2)23-16-13-8-19-21(3)14(13)17-9-18-16/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1