[4,6-dimethyl-2-(2-phenylpentylamino)pyrimidin-5-yl] 2,2-dimethylpropanoate

Systemtic Name: [4,6-dimethyl-2-(2-phenylpentylamino)pyrimidin-5-yl] 2,2-dimethylpropanoate Openeye Name: [4,6-dimethyl-2-(2-phenylpentylamino)pyrimidin-5-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4,6-dimethyl-2-(2-phenylpentylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(2-phenylpentylamino)pyrimidin-5-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4,6-dimethyl-2-(2-phenylpentylamino)pyrimidin-5-yl] ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C(C)(C)C)C)C2=CC=CC=C2

Isomeric SMILES

CCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C(C)(C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O2/c1-7-11-18(17-12-9-8-10-13-17)14-23-21-24-15(2)19(16(3)25-21)27-20(26)22(4,5)6/h8-10,12-13,18H,7,11,14H2,1-6H3,(H,23,24,25)