ethyl 4-[2-(4-butoxy-3-methyl-phenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-butoxy-3-methyl-phenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-butoxy-3-methyl-phenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(4-butoxy-3-methylphenyl)ethylamino]-6-ethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-butoxy-3-methylphenyl)ethylamino]-6-ethylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-butoxy-3-methyl-phenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC)C

InChI

InChI=1S/C22H31N3O3/c1-5-8-13-28-19-10-9-17(14-16(19)4)11-12-23-21-20(22(26)27-7-3)18(6-2)24-15-25-21/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,23,24,25)