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

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3,3-dimethyl-2-oxobutyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(3,3-dimethyl-2-oxobutyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2/c1-17(2,3)14(22)10-20-11-18-15-13(16(20)23)9-19-21(15)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3