ethyl 4-[3-(4-butoxyphenyl)propylamino]-6-ethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-(4-butoxyphenyl)propylamino]-6-ethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-butoxyphenyl)propylamino]-6-ethyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(4-butoxyphenyl)propylamino]-6-ethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-butoxyphenyl)propylamino]-6-ethylpyrimidine-5-carboxylate Traditional Name: 4-[3-(4-butoxyphenyl)propylamino]-6-ethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCCNC2=NC=NC(=C2C(=O)OCC)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCCNC2=NC=NC(=C2C(=O)OCC)CC

InChI

InChI=1S/C22H31N3O3/c1-4-7-15-28-18-12-10-17(11-13-18)9-8-14-23-21-20(22(26)27-6-3)19(5-2)24-16-25-21/h10-13,16H,4-9,14-15H2,1-3H3,(H,23,24,25)