1-(3,5-dimethylphenyl)-5-(3-oxidanylidenebutyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,5-dimethylphenyl)-5-(3-oxidanylidenebutyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,5-dimethylphenyl)-5-(3-oxobutyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,5-dimethylphenyl)-5-(3-oxobutyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3,5-dimethylphenyl)-5-(3-oxobutyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,5-dimethylphenyl)-5-(3-ketobutyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)C)C

InChI

InChI=1S/C17H18N4O2/c1-11-6-12(2)8-14(7-11)21-16-15(9-19-21)17(23)20(10-18-16)5-4-13(3)22/h6-10H,4-5H2,1-3H3