5-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]-5-oxidanyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]-5-oxidanyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-4-oxo-3-pyridyl]-5-hydroxy-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-4-oxo-3-pyridinyl]-5-hydroxy-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-4-oxopyridin-3-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione Traditional Name: 5-hydroxy-5-(2-hydroxy-4-keto-6-methyl-1-piperonyl-3-pyridyl)barbituric acid Formula: C18H15N3O8 MolecularWeight: 401.327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)C4(C(=O)NC(=O)NC4=O)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)C4(C(=O)NC(=O)NC4=O)O

InChI

InChI=1S/C18H15N3O8/c1-8-4-10(22)13(18(27)15(24)19-17(26)20-16(18)25)14(23)21(8)6-9-2-3-11-12(5-9)29-7-28-11/h2-5,23,27H,6-7H2,1H3,(H2,19,20,24,25,26)