4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanethioamide

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanethioamide Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanethioamide CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanethioamide Traditional Name: 4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C12H20N5S+ MolecularWeight: 266.3857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=S)N)C2=NC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=S)N)C2=NC=CC=N2

InChI

InChI=1S/C12H19N5S/c13-11(18)3-1-6-16-7-9-17(10-8-16)12-14-4-2-5-15-12/h2,4-5H,1,3,6-10H2,(H2,13,18)/p+1