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

Systemtic Name: ethenyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-cyclopropyl-6-fluoranyl-2,3-dimethoxy-4-oxidanylidene-7-phenyl-2H-quinoline-3-carboxylate Openeye Name: vinyl 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-7-phenyl-2H-quinoline-3-carboxylate 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 ethenyl ester IUPAC Name: ethenyl 1-cyclopropyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-6-fluoro-2,3-dimethoxy-4-oxo-7-phenyl-2H-quinoline-3-carboxylate 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 vinyl ester Formula: C28H28FN5O5 MolecularWeight: 533.550823

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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)OC=C)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)OC=C)OC

InChI

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