1-hexyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,5-dione

Systemtic Name: 1-hexyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,5-dione Openeye Name: 1-hexyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,5-dione CAS Name: 1-hexyl-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,5-dione IUPAC Name: 1-hexyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,5-dione Traditional Name: 1-hexyl-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,5-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC(=O)N(CC1=O)CC2=CC=C(C=C2)NC3=NC=CC=N3

Isomeric SMILES

CCCCCCN1CC(=O)N(CC1=O)CC2=CC=C(C=C2)NC3=NC=CC=N3

InChI

InChI=1S/C21H27N5O2/c1-2-3-4-5-13-25-15-20(28)26(16-19(25)27)14-17-7-9-18(10-8-17)24-21-22-11-6-12-23-21/h6-12H,2-5,13-16H2,1H3,(H,22,23,24)