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

Systemtic Name: ethyl 4-[2-(4-butylphenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-butylphenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(4-butylphenyl)ethylamino]-6-ethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-butylphenyl)ethylamino]-6-ethylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-butylphenyl)ethylamino]-6-ethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC

InChI

InChI=1S/C21H29N3O2/c1-4-7-8-16-9-11-17(12-10-16)13-14-22-20-19(21(25)26-6-3)18(5-2)23-15-24-20/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,23,24)