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

Systemtic Name: 5-[[6-methyl-5-(3-methylbutyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(5-isopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-isoamyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-9(2)4-6-12-10(3)18-17(20-15(12)22)19-11-5-7-14(21)13(8-11)16(23)24/h5,7-9,21H,4,6H2,1-3H3,(H,23,24)(H2,18,19,20,22)