5-fluoranyl-N4-(4-methoxy-3,5-dimethyl-phenyl)-N2-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N4-(4-methoxy-3,5-dimethyl-phenyl)-N2-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N4-(4-methoxy-3,5-dimethyl-phenyl)-N2-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: 5-fluoro-N4-(4-methoxy-3,5-dimethylphenyl)-N2-[3-[2-(1-piperazinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-4-N-(4-methoxy-3,5-dimethylphenyl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: [5-fluoro-4-(4-methoxy-3,5-dimethyl-anilino)pyrimidin-2-yl]-[3-(2-piperazinoethoxy)phenyl]amine Formula: C25H31FN6O2 MolecularWeight: 466.551043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)OCCN4CCNCC4

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)OCCN4CCNCC4

InChI

InChI=1S/C25H31FN6O2/c1-17-13-20(14-18(2)23(17)33-3)29-24-22(26)16-28-25(31-24)30-19-5-4-6-21(15-19)34-12-11-32-9-7-27-8-10-32/h4-6,13-16,27H,7-12H2,1-3H3,(H2,28,29,30,31)