[4-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylsulfanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylsulfanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]sulfanyl-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethyl]thio]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]sulfanyl-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carbonyl]thio]-1-phosphono-butyl]phosphonic acid Formula: C23H32FN3O9P2S MolecularWeight: 607.525805

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)SCCCC(P(=O)(O)O)P(=O)(O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)SCCCC(P(=O)(O)O)P(=O)(O)O)C4CC4)F

InChI

InChI=1S/C23H32FN3O9P2S/c1-13-11-26(8-7-25-13)20-17(24)10-15-19(22(20)36-2)27(14-5-6-14)12-16(21(15)28)23(29)39-9-3-4-18(37(30,31)32)38(33,34)35/h10,12-14,18,25H,3-9,11H2,1-2H3,(H2,30,31,32)(H2,33,34,35)