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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N6O2S/c1-27(2)16-6-4-15(5-7-16)26-20(29)13-31-22-19-12-25-28(21(19)23-14-24-22)17-8-10-18(30-3)11-9-17/h4-12,14H,13H2,1-3H3,(H,26,29)