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

Systemtic Name: N4-cyclobutyl-5-fluoranyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclobutyl-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-cyclobutyl-5-fluoro-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclobutyl-5-fluoro-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: cyclobutyl-[5-fluoro-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amine Formula: C19H25FN6 MolecularWeight: 356.440403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCC4)F

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCC4)F

InChI

InChI=1S/C19H25FN6/c1-25-9-11-26(12-10-25)16-7-5-15(6-8-16)23-19-21-13-17(20)18(24-19)22-14-3-2-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,22,23,24)