2-[(3,5-ditert-butylphenyl)-methyl-amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3,5-ditert-butylphenyl)-methyl-amino]pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-ditert-butyl-N-methyl-anilino)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-ditert-butyl-N-methylanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-ditert-butyl-N-methylanilino)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-ditert-butyl-N-methyl-anilino)pyrimidine-5-carboxylic acid Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)N(C)C2=NC=C(C=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)N(C)C2=NC=C(C=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C20H27N3O2/c1-19(2,3)14-8-15(20(4,5)6)10-16(9-14)23(7)18-21-11-13(12-22-18)17(24)25/h8-12H,1-7H3,(H,24,25)