6-[azanyl-[2-nitro-2-(4-pyridin-3-ylcarbonylphenyl)ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[azanyl-[2-nitro-2-(4-pyridin-3-ylcarbonylphenyl)ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[amino-[2-nitro-2-[4-(pyridine-3-carbonyl)phenyl]ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[amino-[2-nitro-2-[4-[oxo(3-pyridinyl)methyl]phenyl]ethyl]amino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[amino-[2-nitro-2-[4-(pyridine-3-carbonyl)phenyl]ethyl]amino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[amino-[2-(4-nicotinoylphenyl)-2-nitro-ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H20N6O5 MolecularWeight: 424.41

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N(CC(C2=CC=C(C=C2)C(=O)C3=CN=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N(CC(C2=CC=C(C=C2)C(=O)C3=CN=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H20N6O5/c1-23-17(10-18(27)24(2)20(23)29)25(21)12-16(26(30)31)13-5-7-14(8-6-13)19(28)15-4-3-9-22-11-15/h3-11,16H,12,21H2,1-2H3