N-(3-chloranyl-2-methyl-phenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(1-phenethyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=NC3=C2C=NN3CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=NC3=C2C=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5OS/c1-15-18(23)8-5-9-19(15)27-20(29)13-30-22-17-12-26-28(21(17)24-14-25-22)11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13H2,1H3,(H,27,29)