ethyl 2-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NCC(=O)OCC)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NCC(=O)OCC)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H28FN5O3/c1-4-18-15(3)25-20(16-7-6-8-17(23)13-16)26-21(18)27-9-11-28(12-10-27)22(30)24-14-19(29)31-5-2/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,24,30)