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

Systemtic Name: methyl 4-[4-[[4-(cyclopropylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[[4-(cyclopropylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-(cyclopropylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[[4-(cyclopropylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-(cyclopropylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C19H23FN6O2 MolecularWeight: 386.423323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)F

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)F

InChI

InChI=1S/C19H23FN6O2/c1-28-19(27)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-18-21-12-16(20)17(24-18)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,21,22,23,24)