2-[cyclohexyl(methyl)amino]-4-[(2-phenoxyphenyl)amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[cyclohexyl(methyl)amino]-4-[(2-phenoxyphenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 2-[cyclohexyl(methyl)amino]-4-(2-phenoxyanilino)pyrimidine-5-carboxylic acid CAS Name: 2-[cyclohexyl(methyl)amino]-4-(2-phenoxyanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[cyclohexyl(methyl)amino]-4-(2-phenoxyanilino)pyrimidine-5-carboxylic acid Traditional Name: 2-[cyclohexyl(methyl)amino]-4-(2-phenoxyanilino)pyrimidine-5-carboxylic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC=C(C(=N2)NC3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C1CCCCC1)C2=NC=C(C(=N2)NC3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H26N4O3/c1-28(17-10-4-2-5-11-17)24-25-16-19(23(29)30)22(27-24)26-20-14-8-9-15-21(20)31-18-12-6-3-7-13-18/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,29,30)(H,25,26,27)