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

Systemtic Name: 1-(pyrazin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-(pyrazin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-(2-pyrazinylmethyl)-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-(pyrazin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-(pyrazin-2-ylmethyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=NC=CN=C4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=NC=CN=C4

InChI

InChI=1S/C20H19N7O2/c28-18-19(29)27(14-17-12-21-8-9-22-17)11-10-26(18)13-15-2-4-16(5-3-15)25-20-23-6-1-7-24-20/h1-9,12H,10-11,13-14H2,(H,23,24,25)