5-bromanyl-N4-phenyl-N2-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-phenyl-N2-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-phenyl-N2-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-phenyl-N2-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-phenyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-(2-pyrrolidinoethyl)phenyl]amine Formula: C22H24BrN5 MolecularWeight: 438.36346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

C1CCN(C1)CCC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C22H24BrN5/c23-20-16-24-22(27-21(20)25-18-6-2-1-3-7-18)26-19-10-8-17(9-11-19)12-15-28-13-4-5-14-28/h1-3,6-11,16H,4-5,12-15H2,(H2,24,25,26,27)