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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H22N6OS/c1-15-6-4-5-7-19(15)28-21-18(12-25-28)22(24-14-23-21)30-13-20(29)26-16-8-10-17(11-9-16)27(2)3/h4-12,14H,13H2,1-3H3,(H,26,29)