6-(1-benzothiophen-3-ylmethyl)-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-(1-benzothiophen-3-ylmethyl)-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-(benzothiophen-3-ylmethyl)-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-(1-benzothiophen-3-ylmethyl)-2-(butan-2-ylthio)-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-(1-benzothiophen-3-ylmethyl)-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(benzothiophen-3-ylmethyl)-5-methyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CSC3=CC=CC=C32)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CSC3=CC=CC=C32)C

InChI

InChI=1S/C18H20N2OS2/c1-4-11(2)23-18-19-15(12(3)17(21)20-18)9-13-10-22-16-8-6-5-7-14(13)16/h5-8,10-11H,4,9H2,1-3H3,(H,19,20,21)