4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]thiomorpholine trihydrochloride

Systemtic Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]thiomorpholine trihydrochloride Openeye Name: 4-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]thiomorpholine trihydrochloride CAS Name: 4-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]thiomorpholine trihydrochloride IUPAC Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]thiomorpholine trihydrochloride Traditional Name: 4-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]thiomorpholine trihydrochloride Formula: C24H32Cl3N5S MolecularWeight: 528.96838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCSCC5.Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCSCC5.Cl.Cl.Cl

InChI

InChI=1S/C24H29N5S.3ClH/c1-2-27-9-11-29(12-10-27)24-21-6-4-3-5-19(21)17-22(26-24)20-7-8-23(25-18-20)28-13-15-30-16-14-28;;;/h3-8,17-18H,2,9-16H2,1H3;3*1H