5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-7-ethenyl-6-fluoranyl-2,3-dimethoxy-4-oxidanylidene-8-phenyl-2H-quinoline-3-carboxylic acid

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-7-ethenyl-6-fluoranyl-2,3-dimethoxy-4-oxidanylidene-8-phenyl-2H-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-8-phenyl-7-vinyl-2H-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-5-[(2,4-diamino-5-pyrimidinyl)methyl]-7-ethenyl-6-fluoro-2,3-dimethoxy-4-oxo-8-phenyl-2H-quinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-7-ethenyl-6-fluoro-2,3-dimethoxy-4-oxo-8-phenyl-2H-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-4-keto-2,3-dimethoxy-8-phenyl-7-vinyl-2H-quinoline-3-carboxylic acid Formula: C28H28FN5O5 MolecularWeight: 533.550823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28FN5O5/c1-4-17-19(14-8-6-5-7-9-14)22-20(18(21(17)29)12-15-13-32-27(31)33-24(15)30)23(35)28(39-3,26(36)37)25(38-2)34(22)16-10-11-16/h4-9,13,16,25H,1,10-12H2,2-3H3,(H,36,37)(H4,30,31,32,33)