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

Systemtic Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-o-phenetyl-acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-2-29-18-6-4-3-5-17(18)26-19(28)12-30-21-16-11-25-27(20(16)23-13-24-21)15-9-7-14(22)8-10-15/h3-11,13H,2,12H2,1H3,(H,26,28)