1-cyclopropyl-7-[[1-[5-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]pentyl]pyrrolidin-3-yl]methylamino]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[[1-[5-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]pentyl]pyrrolidin-3-yl]methylamino]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[[1-[5-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[[1-[5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentyl]-3-pyrrolidinyl]methylamino]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[[1-[5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[[1-[5-[6-(3-ethyl-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]pentyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C36H43FN6O5 MolecularWeight: 658.762223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCCN3CCC(C3)CNC4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCCN3CCC(C3)CNC4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C

InChI

InChI=1S/C36H43FN6O5/c1-3-24-15-25(8-7-22(24)2)39-32-18-33(44)42(36(48)40-32)13-6-4-5-12-41-14-11-23(20-41)19-38-30-17-31-27(16-29(30)37)34(45)28(35(46)47)21-43(31)26-9-10-26/h7-8,15-18,21,23,26,38-39H,3-6,9-14,19-20H2,1-2H3,(H,40,48)(H,46,47)