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

Systemtic Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-phenyl-acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5OS/c1-14-8-9-18(15(2)10-14)26-20-17(11-24-26)21(23-13-22-20)28-12-19(27)25-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,25,27)