6-methyl-2-(3-phenylsulfanylpropylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-2-(3-phenylsulfanylpropylsulfanyl)pyrimidin-4-olate Openeye Name: 6-methyl-2-(3-phenylsulfanylpropylsulfanyl)pyrimidin-4-olate CAS Name: 6-methyl-2-[3-(phenylthio)propylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-(3-phenylsulfanylpropylsulfanyl)pyrimidin-4-olate Traditional Name: 6-methyl-2-[3-(phenylthio)propylthio]pyrimidin-4-olate Formula: C14H15N2OS2- MolecularWeight: 291.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCSC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCSC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H16N2OS2/c1-11-10-13(17)16-14(15-11)19-9-5-8-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)/p-1