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

Systemtic Name: 1-[(3-azanylpyridin-2-yl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-[(3-amino-2-pyridyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-[(3-amino-2-pyridinyl)methyl]-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-[(3-aminopyridin-2-yl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-[(3-amino-2-pyridyl)methyl]-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C21H21N7O2 MolecularWeight: 403.43714

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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=C(C=CC=N4)N

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=C(C=CC=N4)N

InChI

InChI=1S/C21H21N7O2/c22-17-3-1-8-23-18(17)14-28-12-11-27(19(29)20(28)30)13-15-4-6-16(7-5-15)26-21-24-9-2-10-25-21/h1-10H,11-14,22H2,(H,24,25,26)