N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O2S/c1-14-8-18(19(30-2)9-17(14)23)27-20(29)12-31-22-16-10-26-28(21(16)24-13-25-22)11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,27,29)