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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5OS/c1-14-10-15(2)20(16(3)11-14)27-22(29)17(4)30-23-19-12-26-28(21(19)24-13-25-23)18-8-6-5-7-9-18/h5-13,17H,1-4H3,(H,27,29)