N-[2-(2-diethylaminoethylsulfanyl)ethyl]-6-methoxy-quinolin-8-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[2-(2-diethylaminoethylsulfanyl)ethyl]-6-methoxy-quinolin-8-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-[2-(2-diethylaminoethylsulfanyl)ethyl]-6-methoxy-quinolin-8-amine CAS Name: N-[2-(2-diethylaminoethylthio)ethyl]-6-methoxy-8-quinolinamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[2-(2-diethylaminoethylsulfanyl)ethyl]-6-methoxyquinolin-8-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[2-[(6-methoxy-8-quinolyl)amino]ethylthio]ethyl]amine Formula: C24H35N3O8S MolecularWeight: 525.615

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCSCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H27N3OS.C6H8O7/c1-4-21(5-2)10-12-23-11-9-19-17-14-16(22-3)13-15-7-6-8-20-18(15)17;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,13-14,19H,4-5,9-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)