N-(2-ethoxyphenyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-ethoxyphenyl)-2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-o-phenetyl-2-[[1-(o-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:

CCOC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4C

InChI

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