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

Systemtic Name: 1-cyclopropyl-7-[4-[4-[6-[(3,4-dimethylphenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-1-piperazinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-[4-[6-(3,4-dimethylanilino)-2,4-diketo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C34H38F2N6O5 MolecularWeight: 648.699526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H38F2N6O5/c1-19-6-7-22(14-20(19)2)37-27-16-28(43)41(34(47)38-27)11-5-4-10-39-12-13-40(17-21(39)3)31-26(35)15-24-30(29(31)36)42(23-8-9-23)18-25(32(24)44)33(45)46/h6-7,14-16,18,21,23,37H,4-5,8-13,17H2,1-3H3,(H,38,47)(H,45,46)