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

Systemtic Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c1-14-8-9-18(15(2)10-14)25-20-17(11-24-25)21(23-13-22-20)27-12-19(26)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3