4-[[2-(4,5-dimethylfuran-2-yl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-(4,5-dimethylfuran-2-yl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[2-(4,5-dimethyl-2-furyl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[2-(4,5-dimethyl-2-furanyl)-5,6-diethyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[2-(4,5-dimethylfuran-2-yl)-5,6-diethylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[2-(4,5-dimethyl-2-furyl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)O)C3=CC(=C(O3)C)C)CC

Isomeric SMILES

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)O)C3=CC(=C(O3)C)C)CC

InChI

InChI=1S/C21H23N3O3/c1-5-16-17(6-2)23-20(18-11-12(3)13(4)27-18)24-19(16)22-15-9-7-14(8-10-15)21(25)26/h7-11H,5-6H2,1-4H3,(H,25,26)(H,22,23,24)