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

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-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-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]-2-keto-ethyl] ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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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=CC=CS4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H18N4O5S/c1-25-18(11-20(28)26(2)22(25)30)24-19(27)12-31-21(29)14-10-16(17-8-5-9-32-17)23-15-7-4-3-6-13(14)15/h3-11H,12H2,1-2H3,(H,24,27)