[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]-2-keto-ethyl] ester Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C23H19N5O5/c1-27-19(11-21(30)28(2)23(27)32)26-20(29)13-33-22(31)16-10-18(14-6-5-9-24-12-14)25-17-8-4-3-7-15(16)17/h3-12H,13H2,1-2H3,(H,26,29)