ethyl 4-[2-(4-butoxyphenyl)ethylamino]-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-butoxyphenyl)ethylamino]-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-butoxyphenyl)ethylamino]-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(4-butoxyphenyl)ethylamino]-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-butoxyphenyl)ethylamino]-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-butoxyphenyl)ethylamino]-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-6-13-26-17-9-7-16(8-10-17)11-12-21-19-18(20(24)25-5-2)15(3)22-14-23-19/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,23)