2-(methylsulfanylmethylsulfanyl)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(methylsulfanylmethylsulfanyl)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-isopropyl-2-(methylsulfanylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 2-[(methylthio)methylthio]-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-(methylsulfanylmethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-isopropyl-2-[(methylthio)methylthio]-1H-pyrimidin-4-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SCSC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCSC)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2OS2/c1-11(2)14-13(9-12-7-5-4-6-8-12)17-16(18-15(14)19)21-10-20-3/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)