2-methyl-5-[(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-methyl-5-[(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one Formula: C17H15N5O7 MolecularWeight: 401.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)C3=C(N=C(NC3=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)C3=C(N=C(NC3=O)C)O)O

InChI

InChI=1S/C17H15N5O7/c1-6-18-14(24)12(15(25)19-6)11(13-16(26)20-7(2)21-17(13)27)9-5-8(22(28)29)3-4-10(9)23/h3-5,11,23H,1-2H3,(H2,18,19,24,25)(H2,20,21,26,27)