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

Systemtic Name: (2S,3R)-3-(3,4-dimethoxyphenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: (2S,3R)-3-(3,4-dimethoxyphenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: (2S,3R)-3-(3,4-dimethoxyphenyl)-1,2-diphenyl-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: (2S,3R)-3-(3,4-dimethoxyphenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: (2S,3R)-3-(3,4-dimethoxyphenyl)-1,2-diphenyl-3-(2-pyrimidylamino)propan-1-one Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC4=NC=CC=N4)OC

InChI

InChI=1S/C27H25N3O3/c1-32-22-15-14-21(18-23(22)33-2)25(30-27-28-16-9-17-29-27)24(19-10-5-3-6-11-19)26(31)20-12-7-4-8-13-20/h3-18,24-25H,1-2H3,(H,28,29,30)/t24-,25-/m0/s1