5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1,3-dioxoisoindolin-2-yl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(phthalimidomethyl)barbituric acid Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C13H9N3O5/c17-9-8(10(18)15-13(21)14-9)5-16-11(19)6-3-1-2-4-7(6)12(16)20/h1-4,8H,5H2,(H2,14,15,17,18,21)