6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-1-(2-methoxyphenyl)-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(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4OC

InChI

InChI=1S/C21H20N4O2S/c1-13-8-9-14(2)15(10-13)12-28-21-23-19-16(20(26)24-21)11-22-25(19)17-6-4-5-7-18(17)27-3/h4-11,22H,12H2,1-3H3