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

Systemtic Name: 2-methyl-5-[(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Formula: C17H15N5O6 MolecularWeight: 385.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6/c1-7-18-14(23)12(15(24)19-7)11(9-3-5-10(6-4-9)22(27)28)13-16(25)20-8(2)21-17(13)26/h3-6,11H,1-2H3,(H2,18,19,23,24)(H2,20,21,25,26)