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

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5OS/c1-15(2)19-12-8-9-16(3)21(19)28-23(30)17(4)31-24-20-13-27-29(22(20)25-14-26-24)18-10-6-5-7-11-18/h5-15,17H,1-4H3,(H,28,30)