3-azanyl-5-(4-tert-butylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-tert-butylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(4-tert-butylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-tert-butylphenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-5-(4-tert-butylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-5-(4-tert-butylphenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H23N5OS/c1-22(2,3)14-7-9-15(10-8-14)27-20(13-5-11-16(29-4)12-6-13)24-19-17(21(27)28)18(23)25-26-19/h5-12H,1-4H3,(H3,23,25,26)