5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C31H35ClFN7O4 MolecularWeight: 624.105503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H22FN3O4.C12H13ClN4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);3-6H,2H2,1H3,(H4,14,15,16,17)