2-morpholin-4-ylethyl 1-cyclopropyl-7-[(3S)-4-[4-[6-[(3,4-dimethylphenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 1-cyclopropyl-7-[(3S)-4-[4-[6-[(3,4-dimethylphenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 2-morpholinoethyl 1-cyclopropyl-7-[(3S)-4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[(3S)-4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methyl-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 1-cyclopropyl-7-[(3S)-4-[4-[6-(3,4-dimethylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]-3-methylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-[(3S)-4-[4-[6-(3,4-dimethylanilino)-2,4-diketo-1H-pyrimidin-3-yl]butyl]-3-methyl-piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid 2-morpholinoethyl ester Formula: C40H50FN7O6 MolecularWeight: 743.866703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCCN2C(=O)C=C(NC2=O)NC3=CC(=C(C=C3)C)C)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)OCCN6CCOCC6)C7CC7)F

Isomeric SMILES

C[C@H]1CN(CCN1CCCCN2C(=O)C=C(NC2=O)NC3=CC(=C(C=C3)C)C)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)OCCN6CCOCC6)C7CC7)F

InChI

InChI=1S/C40H50FN7O6/c1-26-6-7-29(20-27(26)2)42-36-23-37(49)47(40(52)43-36)11-5-4-10-45-12-13-46(24-28(45)3)35-22-34-31(21-33(35)41)38(50)32(25-48(34)30-8-9-30)39(51)54-19-16-44-14-17-53-18-15-44/h6-7,20-23,25,28,30,42H,4-5,8-19,24H2,1-3H3,(H,43,52)/t28-/m0/s1