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

Systemtic Name: 2-piperazin-4-ium-1-yl-6-(propylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-piperazin-4-ium-1-yl-6-(propylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(1-piperazin-4-iumyl)-6-[(propylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-piperazin-4-ium-1-yl-6-(propylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-piperazin-4-ium-1-yl-6-[(propylthio)methyl]-1H-pyrimidin-4-one Formula: C12H21N4OS+ MolecularWeight: 269.38634

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

Isomeric SMILES

CCCSCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H20N4OS/c1-2-7-18-9-10-8-11(17)15-12(14-10)16-5-3-13-4-6-16/h8,13H,2-7,9H2,1H3,(H,14,15,17)/p+1