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

Systemtic Name: 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c1-2-4-10-8-12(18)17-14(15-10)16-11-6-3-5-9(7-11)13(19)20/h3,5-8H,2,4H2,1H3,(H,19,20)(H2,15,16,17,18)