(2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: (2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: (2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: (2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: (2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: (2S,3R)-3-(4-dimethylaminophenyl)-1,2-diphenyl-3-(2-pyrimidylamino)propan-1-one Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C27H26N4O/c1-31(2)23-16-14-21(15-17-23)25(30-27-28-18-9-19-29-27)24(20-10-5-3-6-11-20)26(32)22-12-7-4-8-13-22/h3-19,24-25H,1-2H3,(H,28,29,30)/t24-,25-/m0/s1