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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-phenethyl-acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5OS/c1-16-8-9-19(12-17(16)2)28-22-20(13-27-28)23(26-15-25-22)30-14-21(29)24-11-10-18-6-4-3-5-7-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,29)