methyl 4-[[4-fluoranyl-3-(pyrimidin-5-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[4-fluoranyl-3-(pyrimidin-5-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-fluoro-3-(pyrimidin-5-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[oxo-(5-pyrimidinylamino)methyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-(pyrimidin-5-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-(5-pyrimidylcarbamoylamino)benzyl]piperazine-1-carboxylic acid methyl ester Formula: C18H21FN6O3 MolecularWeight: 388.396143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)NC(=O)NC3=CN=CN=C3

Isomeric SMILES

COC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)NC(=O)NC3=CN=CN=C3

InChI

InChI=1S/C18H21FN6O3/c1-28-18(27)25-6-4-24(5-7-25)11-13-2-3-15(19)16(8-13)23-17(26)22-14-9-20-12-21-10-14/h2-3,8-10,12H,4-7,11H2,1H3,(H2,22,23,26)