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

Systemtic Name: 5-[[5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-keto-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)NC3=CC(=C(C=C3)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)NC3=CC(=C(C=C3)O)C(=O)O)C

InChI

InChI=1S/C21H21N3O5/c1-11-4-7-18(29-3)13(8-11)9-15-12(2)22-21(24-19(15)26)23-14-5-6-17(25)16(10-14)20(27)28/h4-8,10,25H,9H2,1-3H3,(H,27,28)(H2,22,23,24,26)