2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-3-pyrrolyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=CC4=NC(=C(C(=O)N4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])O

InChI

InChI=1S/C22H23N5O5/c1-14-13-16(3-8-19-23-21(28)20(27(30)31)22(29)24-19)15(2)26(14)18-6-4-17(5-7-18)25-9-11-32-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,23,24,28,29)/b8-3+