1,3-dimethyl-6-[3-[(4-nitro-2-pyridin-3-ylcarbonyl-phenyl)amino]propylamino]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[3-[(4-nitro-2-pyridin-3-ylcarbonyl-phenyl)amino]propylamino]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[3-[4-nitro-2-(pyridine-3-carbonyl)anilino]propylamino]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[3-[4-nitro-2-[oxo(3-pyridinyl)methyl]anilino]propylamino]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[3-[4-nitro-2-(pyridine-3-carbonyl)anilino]propylamino]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[3-(2-nicotinoyl-4-nitro-anilino)propylamino]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)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=CC=C3

InChI

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