6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(methylsulfanyl)pyrimidin-5-yl]hexanamide

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(methylsulfanyl)pyrimidin-5-yl]hexanamide Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(methylsulfanyl)pyrimidin-5-yl]hexanamide CAS Name: 6-(1,3-benzoxazol-2-ylthio)-N-[2,4,6-tris(methylthio)-5-pyrimidinyl]hexanamide IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(methylsulfanyl)pyrimidin-5-yl]hexanamide Traditional Name: 6-(1,3-benzoxazol-2-ylthio)-N-[2,4,6-tris(methylthio)pyrimidin-5-yl]hexanamide Formula: C20H24N4O2S4 MolecularWeight: 480.69016

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)SC)SC)NC(=O)CCCCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CSC1=C(C(=NC(=N1)SC)SC)NC(=O)CCCCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H24N4O2S4/c1-27-17-16(18(28-2)24-19(23-17)29-3)22-15(25)11-5-4-8-12-30-20-21-13-9-6-7-10-14(13)26-20/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,22,25)