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

Systemtic Name: 5-[1,3-benzodioxol-5-yl-(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-[1,3-benzodioxol-5-yl-(4-hydroxy-6-keto-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C16H12N4O6 MolecularWeight: 356.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(N=CNC3=O)O)C4=C(N=CNC4=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=C(N=CNC3=O)O)C4=C(N=CNC4=O)O

InChI

InChI=1S/C16H12N4O6/c21-13-11(14(22)18-4-17-13)10(12-15(23)19-5-20-16(12)24)7-1-2-8-9(3-7)26-6-25-8/h1-5,10H,6H2,(H2,17,18,21,22)(H2,19,20,23,24)