5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-6-fluoranyl-2,3-dimethoxy-4-oxidanylidene-7-phenyl-2H-quinoline-3-carboxylic acid

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-6-fluoranyl-2,3-dimethoxy-4-oxidanylidene-7-phenyl-2H-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-7-phenyl-2H-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-5-[(2,4-diamino-5-pyrimidinyl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-7-phenyl-2H-quinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-7-phenyl-2H-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-4-keto-2,3-dimethoxy-7-phenyl-2H-quinoline-3-carboxylic acid Formula: C26H26FN5O5 MolecularWeight: 507.513543

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(=O)C2=C(N1C3CC3)C=C(C(=C2CC4=CN=C(N=C4N)N)F)C5=CC=CC=C5)(C(=O)O)OC

Isomeric SMILES

COC1C(C(=O)C2=C(N1C3CC3)C=C(C(=C2CC4=CN=C(N=C4N)N)F)C5=CC=CC=C5)(C(=O)O)OC

InChI

InChI=1S/C26H26FN5O5/c1-36-23-26(37-2,24(34)35)21(33)19-17(10-14-12-30-25(29)31-22(14)28)20(27)16(13-6-4-3-5-7-13)11-18(19)32(23)15-8-9-15/h3-7,11-12,15,23H,8-10H2,1-2H3,(H,34,35)(H4,28,29,30,31)