3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanethioamide

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanethioamide Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanethioamide CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanethioamide Traditional Name: 3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C11H18N5S+ MolecularWeight: 252.35912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5S/c12-10(17)2-5-15-6-8-16(9-7-15)11-13-3-1-4-14-11/h1,3-4H,2,5-9H2,(H2,12,17)/p+1