N4-(4-chloranyl-3-fluoranyl-phenyl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(4-chloranyl-3-fluoranyl-phenyl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-fluoro-phenyl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-fluorophenyl)-5-methyl-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-fluorophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-fluoro-anilino)-5-methyl-pyrimidin-2-yl]-[4-(2-pyrrolidinoethoxy)phenyl]amine Formula: C23H25ClFN5O MolecularWeight: 441.928903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)F)NC3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)F)NC3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C23H25ClFN5O/c1-16-15-26-23(29-22(16)27-18-6-9-20(24)21(25)14-18)28-17-4-7-19(8-5-17)31-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,26,27,28,29)