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

Systemtic Name: 1-(1-phenylethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-(1-phenylethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-(1-phenylethyl)-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-(1-phenylethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-(1-phenylethyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(C(=O)C2=O)CC3=CC=C(C=C3)NC4=NC=CC=N4

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(C(=O)C2=O)CC3=CC=C(C=C3)NC4=NC=CC=N4

InChI

InChI=1S/C23H23N5O2/c1-17(19-6-3-2-4-7-19)28-15-14-27(21(29)22(28)30)16-18-8-10-20(11-9-18)26-23-24-12-5-13-25-23/h2-13,17H,14-16H2,1H3,(H,24,25,26)