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

Systemtic Name: 6-[1-(3-azanyl-4-nitro-phenyl)azetidin-3-yl]-1-cyclohexyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[1-(3-amino-4-nitro-phenyl)azetidin-3-yl]-1-cyclohexyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[1-(3-amino-4-nitrophenyl)-3-azetidinyl]-1-cyclohexyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[1-(3-amino-4-nitrophenyl)azetidin-3-yl]-1-cyclohexyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[1-(3-amino-4-nitro-phenyl)azetidin-3-yl]-1-cyclohexyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C5=CC(=C(C=C5)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C5=CC(=C(C=C5)[N+](=O)[O-])N

InChI

InChI=1S/C20H23N7O3/c21-16-8-14(6-7-17(16)27(29)30)25-10-12(11-25)18-23-19-15(20(28)24-18)9-22-26(19)13-4-2-1-3-5-13/h6-9,12-13,22H,1-5,10-11,21H2