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

Systemtic Name: ethyl 4-[[4-fluoranyl-3-[(pyrimidin-5-ylcarbamoylamino)methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-fluoro-3-[(pyrimidin-5-ylcarbamoylamino)methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[oxo-(5-pyrimidinylamino)methyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-fluoro-3-[(pyrimidin-5-ylcarbamoylamino)methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[(5-pyrimidylcarbamoylamino)methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25FN6O3 MolecularWeight: 416.449303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=CN=C3

InChI

InChI=1S/C20H25FN6O3/c1-2-30-20(29)27-7-5-26(6-8-27)13-15-3-4-18(21)16(9-15)10-24-19(28)25-17-11-22-14-23-12-17/h3-4,9,11-12,14H,2,5-8,10,13H2,1H3,(H2,24,25,28)