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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C22H21N5O2S/c1-14-4-7-16(8-5-14)27-21-17(11-25-27)22(24-13-23-21)30-12-20(28)26-18-10-15(2)6-9-19(18)29-3/h4-11,13H,12H2,1-3H3,(H,26,28)