6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-(3,5-dimethylphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-(3,5-dimethylphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4O2S/c1-14-10-15(2)12-17(11-14)27-8-9-28-21-23-19-18(20(26)24-21)13-22-25(19)16-6-4-3-5-7-16/h3-7,10-13,22H,8-9H2,1-2H3