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

Systemtic Name: N4-cyclohexyl-5-fluoranyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: N4-cyclohexyl-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine hydrochloride CAS Name: N4-cyclohexyl-5-fluoro-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 4-N-cyclohexyl-5-fluoro-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: cyclohexyl-[5-fluoro-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amine hydrochloride Formula: C21H30ClFN6 MolecularWeight: 420.954503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN6.ClH/c1-27-11-13-28(14-12-27)18-9-7-17(8-10-18)25-21-23-15-19(22)20(26-21)24-16-5-3-2-4-6-16;/h7-10,15-16H,2-6,11-14H2,1H3,(H2,23,24,25,26);1H