1-phenethyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione

Systemtic Name: 1-phenethyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-phenethyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-phenethyl-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-phenethyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-phenethyl-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=CC=N4

InChI

InChI=1S/C23H23N5O2/c29-21-22(30)28(16-15-27(21)14-11-18-5-2-1-3-6-18)17-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h1-10,12-13H,11,14-17H2,(H,24,25,26)