ethanedioic acid; 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-methoxypropyl)-1,3-thiazole

Systemtic Name: ethanedioic acid; 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-methoxypropyl)-1,3-thiazole Openeye Name: 5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-(3-methoxypropyl)thiazole; oxalic acid CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-(3-methoxypropyl)thiazole; oxalic acid IUPAC Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-methoxypropyl)-1,3-thiazole; oxalic acid Traditional Name: 5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-(3-methoxypropyl)thiazole; oxalic acid Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(S4)CCCOC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(S4)CCCOC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N4OS.C2H2O4/c1-3-25-10-12-26(13-11-25)22-18-8-5-4-7-17(18)15-19(24-22)20-16-23-21(28-20)9-6-14-27-2;3-1(4)2(5)6/h4-5,7-8,15-16H,3,6,9-14H2,1-2H3;(H,3,4)(H,5,6)