2-[4-[2-[[6-(imidazol-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethyl]piperazin-1-yl]ethanamine

Systemtic Name: 2-[4-[2-[[6-(imidazol-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethyl]piperazin-1-yl]ethanamine Openeye Name: 2-[4-[2-[[6-(imidazol-1-ylmethyl)-2-pyridyl]methylsulfanyl]ethyl]piperazin-1-yl]ethanamine CAS Name: 2-[4-[2-[[6-(1-imidazolylmethyl)-2-pyridinyl]methylthio]ethyl]-1-piperazinyl]ethanamine IUPAC Name: 2-[4-[2-[[6-(imidazol-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethyl]piperazin-1-yl]ethanamine Traditional Name: 2-[4-[2-[[6-(imidazol-1-ylmethyl)-2-pyridyl]methylthio]ethyl]piperazino]ethylamine Formula: C18H28N6S MolecularWeight: 360.52012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)CCSCC2=CC=CC(=N2)CN3C=CN=C3

Isomeric SMILES

C1CN(CCN1CCN)CCSCC2=CC=CC(=N2)CN3C=CN=C3

InChI

InChI=1S/C18H28N6S/c19-4-6-22-8-10-23(11-9-22)12-13-25-15-18-3-1-2-17(21-18)14-24-7-5-20-16-24/h1-3,5,7,16H,4,6,8-15,19H2