ethyl 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylate CAS Name: 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylate Traditional Name: 3-(3,5-ditert-butylphenyl)-2-(methylamino)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)NC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)NC

InChI

InChI=1S/C22H33N3O2/c1-9-27-19(26)15-13-24-20(23-8)25(14-15)18-11-16(21(2,3)4)10-17(12-18)22(5,6)7/h10-13H,9,14H2,1-8H3,(H,23,24)