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

Systemtic Name: N-(2-ethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-ethylphenyl)-2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-ethylphenyl)-2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

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