N-(2,5-dimethylphenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C27H23N5OS MolecularWeight: 465.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C27H23N5OS/c1-18-13-14-19(2)23(15-18)31-26(33)24(20-9-5-3-6-10-20)34-27-22-16-30-32(25(22)28-17-29-27)21-11-7-4-8-12-21/h3-17,24H,1-2H3,(H,31,33)