6-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C13H14N2O2S2/c1-9-8-12(17)15-13(14-9)19-7-2-4-10(16)11-5-3-6-18-11/h3,5-6,8H,2,4,7H2,1H3,(H,14,15,17)