1-cyclohexyl-6-[1-(3-methyl-4-nitro-phenyl)azetidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-cyclohexyl-6-[1-(3-methyl-4-nitro-phenyl)azetidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclohexyl-6-[1-(3-methyl-4-nitro-phenyl)azetidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclohexyl-6-[1-(3-methyl-4-nitrophenyl)-3-azetidinyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclohexyl-6-[1-(3-methyl-4-nitrophenyl)azetidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclohexyl-6-[1-(3-methyl-4-nitro-phenyl)azetidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(C2)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(C2)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-13-9-16(7-8-18(13)27(29)30)25-11-14(12-25)19-23-20-17(21(28)24-19)10-22-26(20)15-5-3-2-4-6-15/h7-10,14-15,22H,2-6,11-12H2,1H3