2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: 2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-5-carboxylate Openeye Name: 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-oxazol-5-ylphenyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-[4-(5-oxazolyl)phenyl]-5-pyrimidinecarboxylate IUPAC Name: 2-[2-[(6-amino-5-nitropyridin-2-yl)amino]ethylamino]-4-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-oxazol-5-ylphenyl)pyrimidine-5-carboxylate Formula: C21H17N8O5- MolecularWeight: 461.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=CO2)C3=NC(=NC=C3C(=O)[O-])NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=CO2)C3=NC(=NC=C3C(=O)[O-])NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C21H18N8O5/c22-19-15(29(32)33)5-6-17(27-19)24-7-8-25-21-26-9-14(20(30)31)18(28-21)13-3-1-12(2-4-13)16-10-23-11-34-16/h1-6,9-11H,7-8H2,(H,30,31)(H3,22,24,27)(H,25,26,28)/p-1