N4-cyclohexyl-5-fluoranyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclohexyl-5-fluoranyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclohexyl-5-fluoro-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-cyclohexyl-5-fluoro-N2-[3-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclohexyl-5-fluoro-2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: cyclohexyl-[5-fluoro-2-[3-(4-methylpiperazino)anilino]pyrimidin-4-yl]amine Formula: C21H29FN6 MolecularWeight: 384.493563

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCCCC4)F

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCCCC4)F

InChI

InChI=1S/C21H29FN6/c1-27-10-12-28(13-11-27)18-9-5-8-17(14-18)25-21-23-15-19(22)20(26-21)24-16-6-3-2-4-7-16/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,23,24,25,26)