2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-oxo-1-piperazin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-ketopiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C11H13N4O2S+ MolecularWeight: 265.31152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C11H12N4O2S/c16-9-6-15(3-2-12-9)5-8-13-7-1-4-18-10(7)11(17)14-8/h1,4H,2-3,5-6H2,(H,12,16)(H,13,14,17)/p+1