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

Systemtic Name: 5-fluoranyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]-N4-propan-2-yl-pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N4-isopropyl-N2-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2-[3-(4-methyl-1-piperazinyl)phenyl]-N4-propan-2-ylpyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine Traditional Name: [5-fluoro-4-(isopropylamino)pyrimidin-2-yl]-[3-(4-methylpiperazino)phenyl]amine Formula: C18H25FN6 MolecularWeight: 344.429703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)NC1=NC(=NC=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C

InChI

InChI=1S/C18H25FN6/c1-13(2)21-17-16(19)12-20-18(23-17)22-14-5-4-6-15(11-14)25-9-7-24(3)8-10-25/h4-6,11-13H,7-10H2,1-3H3,(H2,20,21,22,23)