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

Systemtic Name: 1,3-dimethyl-6-[[3-nitro-2-[(4-pyridin-3-ylcarbonylphenyl)amino]propyl]amino]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[3-nitro-2-[4-(pyridine-3-carbonyl)anilino]propyl]amino]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[3-nitro-2-[4-[oxo(3-pyridinyl)methyl]anilino]propyl]amino]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[3-nitro-2-[4-(pyridine-3-carbonyl)anilino]propyl]amino]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[2-(4-nicotinoylanilino)-3-nitro-propyl]amino]pyrimidine-2,4-quinone Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCC(C[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCC(C[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H22N6O5/c1-25-18(10-19(28)26(2)21(25)30)23-12-17(13-27(31)32)24-16-7-5-14(6-8-16)20(29)15-4-3-9-22-11-15/h3-11,17,23-24H,12-13H2,1-2H3