imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(2-hydroxyethyl)piperazin-4-ium-1-carbodithioate

Systemtic Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(2-hydroxyethyl)piperazin-4-ium-1-carbodithioate Openeye Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(2-hydroxyethyl)piperazin-4-ium-1-carbodithioate CAS Name: 4-(2-hydroxyethyl)-1-piperazin-4-iumcarbodithioic acid 2-imidazo[1,2-a]pyrimidinylmethyl ester IUPAC Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(2-hydroxyethyl)piperazin-4-ium-1-carbodithioate Traditional Name: 4-(2-hydroxyethyl)piperazin-4-ium-1-carbodithioic acid imidazo[1,2-a]pyrimidin-2-ylmethyl ester Formula: C14H20N5OS2+ MolecularWeight: 338.4715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)SCC2=CN3C=CC=NC3=N2

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)SCC2=CN3C=CC=NC3=N2

InChI

InChI=1S/C14H19N5OS2/c20-9-8-17-4-6-18(7-5-17)14(21)22-11-12-10-19-3-1-2-15-13(19)16-12/h1-3,10,20H,4-9,11H2/p+1