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

Systemtic Name: 1-phenyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-phenyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-phenyl-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-phenyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-phenyl-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2/c27-19-20(28)26(18-5-2-1-3-6-18)14-13-25(19)15-16-7-9-17(10-8-16)24-21-22-11-4-12-23-21/h1-12H,13-15H2,(H,22,23,24)