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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-16-8-6-9-17(2)21(16)27-20(29)12-7-13-30-23-19-14-26-28(22(19)24-15-25-23)18-10-4-3-5-11-18/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,27,29)