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

Systemtic Name: 1-cyclopropyl-7-[[1-[4-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]pyrrolidin-3-yl]methylamino]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[[1-[4-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[[1-[4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-pyrrolidinyl]methylamino]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[[1-[4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[[1-[4-[6-(3-ethyl-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]butyl]pyrrolidin-3-yl]methylamino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C35H41FN6O5 MolecularWeight: 644.735643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCN3CCC(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)CCCCN3CCC(C3)CNC4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C

InChI

InChI=1S/C35H41FN6O5/c1-3-23-14-24(7-6-21(23)2)38-31-17-32(43)41(35(47)39-31)12-5-4-11-40-13-10-22(19-40)18-37-29-16-30-26(15-28(29)36)33(44)27(34(45)46)20-42(30)25-8-9-25/h6-7,14-17,20,22,25,37-38H,3-5,8-13,18-19H2,1-2H3,(H,39,47)(H,45,46)