N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H23N5OS/c1-4-17-7-5-6-16(3)21(17)27-20(29)13-30-23-19-12-26-28(22(19)24-14-25-23)18-10-8-15(2)9-11-18/h5-12,14H,4,13H2,1-3H3,(H,27,29)