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

Systemtic Name: methyl 4-[4-[[4-(cyclobutylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[[4-(cyclobutylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-(cyclobutylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[[4-(cyclobutylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-(cyclobutylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN6O2/c1-29-20(28)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-19-22-13-17(21)18(25-19)23-14-3-2-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,22,23,24,25)