5-bromanyl-N2,N4-bis(4-methoxy-3-phenyl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2,N4-bis(4-methoxy-3-phenyl-phenyl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2,N4-bis(4-methoxy-3-phenyl-phenyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N2,N4-bis(4-methoxy-3-phenylphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N,4-N-bis(4-methoxy-3-phenylphenyl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(4-methoxy-3-phenyl-anilino)pyrimidin-4-yl]-(4-methoxy-3-phenyl-phenyl)amine Formula: C30H25BrN4O2 MolecularWeight: 553.4491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC(=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC(=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

InChI

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