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

Systemtic Name: 5-[1,3-benzodioxol-5-yl-(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one CAS Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one IUPAC Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one Traditional Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=CC3=C(C=C2)OCO3)C4=C(N=C(NC4=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=CC3=C(C=C2)OCO3)C4=C(N=C(NC4=O)C)O)O

InChI

InChI=1S/C18H16N4O6/c1-7-19-15(23)13(16(24)20-7)12(14-17(25)21-8(2)22-18(14)26)9-3-4-10-11(5-9)28-6-27-10/h3-5,12H,6H2,1-2H3,(H2,19,20,23,24)(H2,21,22,25,26)