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

Systemtic Name: 1-(4-chlorophenyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-(4-chlorophenyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-(4-chlorophenyl)-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-(4-chlorophenyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O2/c22-16-4-8-18(9-5-16)27-13-12-26(19(28)20(27)29)14-15-2-6-17(7-3-15)25-21-23-10-1-11-24-21/h1-11H,12-14H2,(H,23,24,25)