5-bromanyl-N2,N4-bis(2-methoxy-5-phenyl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2,N4-bis(2-methoxy-5-phenyl-phenyl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2,N4-bis(2-methoxy-5-phenyl-phenyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N2,N4-bis(2-methoxy-5-phenylphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N,4-N-bis(2-methoxy-5-phenylphenyl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(2-methoxy-5-phenyl-anilino)pyrimidin-4-yl]-(2-methoxy-5-phenyl-phenyl)amine Formula: C30H25BrN4O2 MolecularWeight: 553.4491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC3=NC(=NC=C3Br)NC4=C(C=CC(=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC3=NC(=NC=C3Br)NC4=C(C=CC(=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H25BrN4O2/c1-36-27-15-13-22(20-9-5-3-6-10-20)17-25(27)33-29-24(31)19-32-30(35-29)34-26-18-23(14-16-28(26)37-2)21-11-7-4-8-12-21/h3-19H,1-2H3,(H2,32,33,34,35)