3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CCO

InChI

InChI=1S/C14H15N3O4/c1-8-11(5-6-18)12(19)17-14(15-8)16-10-4-2-3-9(7-10)13(20)21/h2-4,7,18H,5-6H2,1H3,(H,20,21)(H2,15,16,17,19)