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

Systemtic Name: 2-[(3,5-ditert-butylphenyl)carbonylamino]pyrimidine-5-carboxylic acid Openeye Name: 2-[(3,5-ditert-butylbenzoyl)amino]pyrimidine-5-carboxylic acid CAS Name: 2-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[(3,5-ditert-butylbenzoyl)amino]pyrimidine-5-carboxylic acid Traditional Name: 2-[(3,5-ditert-butylbenzoyl)amino]pyrimidine-5-carboxylic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C20H25N3O3/c1-19(2,3)14-7-12(8-15(9-14)20(4,5)6)16(24)23-18-21-10-13(11-22-18)17(25)26/h7-11H,1-6H3,(H,25,26)(H,21,22,23,24)