ethyl 4-[3-[[4-(cyclobutylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[4-(cyclobutylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[4-(cyclobutylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(cyclobutylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[4-(cyclobutylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(cyclobutylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCC4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCC4)F

InChI

InChI=1S/C21H27FN6O2/c1-2-30-21(29)28-11-9-27(10-12-28)17-8-4-7-16(13-17)25-20-23-14-18(22)19(26-20)24-15-5-3-6-15/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3,(H2,23,24,25,26)