1-(pyridin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,6-dione

Systemtic Name: 1-(pyridin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,6-dione Openeye Name: 1-(2-pyridylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,6-dione CAS Name: 1-(2-pyridinylmethyl)-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,6-dione IUPAC Name: 1-(pyridin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,6-dione Traditional Name: 1-(2-pyridylmethyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,6-quinone Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C(=O)CN1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C21H20N6O2/c28-19-14-26(15-20(29)27(19)13-18-4-1-2-9-22-18)12-16-5-7-17(8-6-16)25-21-23-10-3-11-24-21/h1-11H,12-15H2,(H,23,24,25)