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

Systemtic Name: N4-cyclobutyl-5-fluoranyl-N4-methyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclobutyl-5-fluoro-N4-methyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-cyclobutyl-5-fluoro-N4-methyl-N2-[3-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclobutyl-5-fluoro-4-N-methyl-2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: cyclobutyl-[5-fluoro-2-[3-(4-methylpiperazino)anilino]pyrimidin-4-yl]-methyl-amine Formula: C20H27FN6 MolecularWeight: 370.466983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)N(C)C4CCC4)F

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)N(C)C4CCC4)F

InChI

InChI=1S/C20H27FN6/c1-25-9-11-27(12-10-25)17-8-3-5-15(13-17)23-20-22-14-18(21)19(24-20)26(2)16-6-4-7-16/h3,5,8,13-14,16H,4,6-7,9-12H2,1-2H3,(H,22,23,24)