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

Systemtic Name: 4-[[5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-keto-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-12-4-9-18(28-3)15(10-12)11-17-13(2)22-21(24-19(17)25)23-16-7-5-14(6-8-16)20(26)27/h4-10H,11H2,1-3H3,(H,26,27)(H2,22,23,24,25)