5-[(4-methoxy-3-nitro-phenyl)-(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)-(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-methoxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(4-methoxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one Formula: C18H17N5O7 MolecularWeight: 415.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H17N5O7/c1-7-19-15(24)13(16(25)20-7)12(14-17(26)21-8(2)22-18(14)27)9-4-5-11(30-3)10(6-9)23(28)29/h4-6,12H,1-3H3,(H2,19,20,24,25)(H2,21,22,26,27)