7-[4-[4-[6-[(3-chloranyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[4-[6-[(3-chloranyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[4-[6-(3-chloro-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[4-[6-(3-chloro-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[4-[6-(3-chloro-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[4-[6-(3-chloro-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C33H35ClF2N6O5 MolecularWeight: 669.118006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCCN2C(=O)C=C(NC2=O)NC3=CC(=C(C=C3)C)Cl)C4=C(C=C5C(=C4F)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1CN(CCN1CCCCN2C(=O)C=C(NC2=O)NC3=CC(=C(C=C3)C)Cl)C4=C(C=C5C(=C4F)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C33H35ClF2N6O5/c1-18-5-6-20(13-24(18)34)37-26-15-27(43)41(33(47)38-26)10-4-3-9-39-11-12-40(16-19(39)2)30-25(35)14-22-29(28(30)36)42(21-7-8-21)17-23(31(22)44)32(45)46/h5-6,13-15,17,19,21,37H,3-4,7-12,16H2,1-2H3,(H,38,47)(H,45,46)