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

Systemtic Name: 2-methyl-5-[(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one Formula: C18H15N5O8 MolecularWeight: 429.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(N=C(NC4=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(N=C(NC4=O)C)O)O

InChI

InChI=1S/C18H15N5O8/c1-6-19-15(24)13(16(25)20-6)12(14-17(26)21-7(2)22-18(14)27)8-3-10-11(31-5-30-10)4-9(8)23(28)29/h3-4,12H,5H2,1-2H3,(H2,19,20,24,25)(H2,21,22,26,27)