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

Systemtic Name: ethyl 4-[3-[[4-(cyclohexylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[4-(cyclohexylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(cyclohexylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(cyclohexylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31FN6O2 MolecularWeight: 442.529643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCCCC4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCCCC4)F

InChI

InChI=1S/C23H31FN6O2/c1-2-32-23(31)30-13-11-29(12-14-30)19-10-6-9-18(15-19)27-22-25-16-20(24)21(28-22)26-17-7-4-3-5-8-17/h6,9-10,15-17H,2-5,7-8,11-14H2,1H3,(H2,25,26,27,28)