6-azanyl-2-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(p-tolylsulfanyl)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-[(4-methylphenyl)thio]ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(p-tolylthio)ethylthio]-1H-pyrimidin-4-one Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H15N3OS2/c1-9-2-4-10(5-3-9)18-6-7-19-13-15-11(14)8-12(17)16-13/h2-5,8H,6-7H2,1H3,(H3,14,15,16,17)