4-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]pentanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]pentanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[5-(2,4-dioxo-1-pyrimidinyl)-1-oxopentyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[5-(2,4-diketopyrimidin-1-yl)pentanoylamino]-2-hydroxy-benzoic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCN2C=CC(=O)NC2=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCN2C=CC(=O)NC2=O)O)C(=O)O

InChI

InChI=1S/C16H17N3O6/c20-12-9-10(4-5-11(12)15(23)24)17-13(21)3-1-2-7-19-8-6-14(22)18-16(19)25/h4-6,8-9,20H,1-3,7H2,(H,17,21)(H,23,24)(H,18,22,25)