2-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-amino-2-methyl-5-pyrimidin-1-iumyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C11H14N5OS+ MolecularWeight: 264.32676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=C[NH+]=C(N=C2N)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=C[NH+]=C(N=C2N)C

InChI

InChI=1S/C11H13N5OS/c1-6-3-9(17)16-11(14-6)18-5-8-4-13-7(2)15-10(8)12/h3-4H,5H2,1-2H3,(H2,12,13,15)(H,14,16,17)/p+1