6-(ethylsulfanylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one

Systemtic Name: 6-(ethylsulfanylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Openeye Name: 6-(ethylsulfanylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one CAS Name: 6-[(ethylthio)methyl]-2-(1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-(ethylsulfanylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Traditional Name: 6-[(ethylthio)methyl]-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Formula: C11H19N4OS+ MolecularWeight: 255.35976

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

Isomeric SMILES

CCSCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

InChI

InChI=1S/C11H18N4OS/c1-2-17-8-9-7-10(16)14-11(13-9)15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)/p+1