ethyl 4-[3,3-dimethylbutyl(heptan-4-yl)amino]-2-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3,3-dimethylbutyl(heptan-4-yl)amino]-2-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3,3-dimethylbutyl(1-propylbutyl)amino]-2-propyl-pyrimidine-5-carboxylate CAS Name: 4-[3,3-dimethylbutyl(heptan-4-yl)amino]-2-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,3-dimethylbutyl(heptan-4-yl)amino]-2-propylpyrimidine-5-carboxylate Traditional Name: 4-[3,3-dimethylbutyl(1-propylbutyl)amino]-2-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H41N3O2 MolecularWeight: 391.59054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C(=N1)N(CCC(C)(C)C)C(CCC)CCC)C(=O)OCC

Isomeric SMILES

CCCC1=NC=C(C(=N1)N(CCC(C)(C)C)C(CCC)CCC)C(=O)OCC

InChI

InChI=1S/C23H41N3O2/c1-8-12-18(13-9-2)26(16-15-23(5,6)7)21-19(22(27)28-11-4)17-24-20(25-21)14-10-3/h17-18H,8-16H2,1-7H3