6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,3-dimethyl-2-oxobutyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-3,3-dimethyl-butyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)13(22)10-24-16-19-14-12(9-18-20-14)15(23)21(16)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,20)