2-[(3,5-ditert-butylphenyl)amino]-3-ethyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3,5-ditert-butylphenyl)amino]-3-ethyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-ditert-butylanilino)-3-ethyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-ditert-butylanilino)-3-ethyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(3,5-ditert-butylanilino)-3-ethyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-ditert-butylanilino)-3-ethyl-4H-pyrimidine-5-carboxylic acid Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CN=C1NC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CCN1CC(=CN=C1NC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H31N3O2/c1-8-24-13-14(18(25)26)12-22-19(24)23-17-10-15(20(2,3)4)9-16(11-17)21(5,6)7/h9-12H,8,13H2,1-7H3,(H,22,23)(H,25,26)