2-piperazin-4-ium-1-yl-6-thiophen-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-piperazin-4-ium-1-yl-6-thiophen-2-yl-1H-pyrimidin-4-one Openeye Name: 2-piperazin-4-ium-1-yl-6-(2-thienyl)-1H-pyrimidin-4-one CAS Name: 2-(1-piperazin-4-iumyl)-6-thiophen-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-piperazin-4-ium-1-yl-6-thiophen-2-yl-1H-pyrimidin-4-one Traditional Name: 2-piperazin-4-ium-1-yl-6-(2-thienyl)-1H-pyrimidin-4-one Formula: C12H15N4OS+ MolecularWeight: 263.3387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=O)C=C(N2)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=O)C=C(N2)C3=CC=CS3

InChI

InChI=1S/C12H14N4OS/c17-11-8-9(10-2-1-7-18-10)14-12(15-11)16-5-3-13-4-6-16/h1-2,7-8,13H,3-6H2,(H,14,15,17)/p+1