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

Systemtic Name: 1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-[(4-aminophenyl)methyl]-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-(4-aminobenzyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)N)CC3=CC=C(C=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)N)CC3=CC=C(C=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H22N6O2/c23-18-6-2-16(3-7-18)14-27-12-13-28(21(30)20(27)29)15-17-4-8-19(9-5-17)26-22-24-10-1-11-25-22/h1-11H,12-15,23H2,(H,24,25,26)