5-[(2-chloranylquinolin-3-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(2-chloranylquinolin-3-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-3-quinolyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chloro-3-quinolinyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloroquinolin-3-yl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(2-chloro-3-quinolyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C21H14ClN5O/c22-19-15(10-14-6-4-5-9-18(14)25-19)12-26-13-23-20-17(21(26)28)11-24-27(20)16-7-2-1-3-8-16/h1-11,13H,12H2