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

Systemtic Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-isopropyl-acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-11(2)22-16(24)9-25-18-14-8-21-23(17(14)19-10-20-18)15-6-5-12(3)7-13(15)4/h5-8,10-11H,9H2,1-4H3,(H,22,24)