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

Systemtic Name: methyl 4-[3-[[4-(cyclohexylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H29FN6O2 MolecularWeight: 428.503063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN6O2/c1-31-22(30)29-12-10-28(11-13-29)18-9-5-8-17(14-18)26-21-24-15-19(23)20(27-21)25-16-6-3-2-4-7-16/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,24,25,26,27)