5-fluoranyl-N2,N4-bis[3-(propan-2-ylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N2,N4-bis[3-(propan-2-ylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N2,N4-bis[3-(isopropylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis[3-(propan-2-ylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N,4-N-bis[3-(propan-2-ylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-[3-(isopropylamino)anilino]pyrimidin-4-yl]-[3-(isopropylamino)phenyl]amine Formula: C22H27FN6 MolecularWeight: 394.488383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)NC(C)C

Isomeric SMILES

CC(C)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)NC(C)C

InChI

InChI=1S/C22H27FN6/c1-14(2)25-16-7-5-9-18(11-16)27-21-20(23)13-24-22(29-21)28-19-10-6-8-17(12-19)26-15(3)4/h5-15,25-26H,1-4H3,(H2,24,27,28,29)