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

Systemtic Name: 5-[(2-chloranylquinolin-3-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-3-quinolyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chloro-3-quinolinyl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloroquinolin-3-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(2-chloro-3-quinolyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H13ClN6O3 MolecularWeight: 432.81932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN6O3/c22-19-14(9-13-5-1-2-6-16(13)25-19)11-26-12-23-20-15(21(26)29)10-24-27(20)17-7-3-4-8-18(17)28(30)31/h1-10,12H,11H2