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

Systemtic Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(phenylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-benzylpiperazin-4-ium-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazin-4-iumcarbodithioic acid 2-imidazo[1,2-a]pyrimidinylmethyl ester IUPAC Name: imidazo[1,2-a]pyrimidin-2-ylmethyl 4-benzylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-benzylpiperazin-4-ium-1-carbodithioic acid imidazo[1,2-a]pyrimidin-2-ylmethyl ester Formula: C19H22N5S2+ MolecularWeight: 384.54148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)SCC3=CN4C=CC=NC4=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)SCC3=CN4C=CC=NC4=N3

InChI

InChI=1S/C19H21N5S2/c25-19(26-15-17-14-24-8-4-7-20-18(24)21-17)23-11-9-22(10-12-23)13-16-5-2-1-3-6-16/h1-8,14H,9-13,15H2/p+1