5-bromanyl-N2-[4-(2-dimethylaminoethyloxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[4-(2-dimethylaminoethyloxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-(2-dimethylaminoethyloxy)phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-(2-dimethylaminoethyloxy)phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-(2-dimethylaminoethyloxy)phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: 2-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]ethyl-dimethyl-amine Formula: C20H22BrN5O MolecularWeight: 428.32558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C20H22BrN5O/c1-26(2)12-13-27-17-10-8-16(9-11-17)24-20-22-14-18(21)19(25-20)23-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24,25)