1-(2,3-dimethylphenyl)-5-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2,3-dimethylphenyl)-5-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2,3-dimethylphenyl)-5-isopentyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2,3-dimethylphenyl)-5-(3-methylbutyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2,3-dimethylphenyl)-5-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2,3-dimethylphenyl)-5-isoamyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-12(2)8-9-21-11-19-17-15(18(21)23)10-20-22(17)16-7-5-6-13(3)14(16)4/h5-7,10-12H,8-9H2,1-4H3