1-[4-(2-oxidanyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propoxy)phenyl]propan-1-one

Systemtic Name: 1-[4-(2-oxidanyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propoxy)phenyl]propan-1-one Openeye Name: 1-[4-(2-hydroxy-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propoxy)phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-(4-thieno[2,3-d]pyrimidinylthio)propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-(2-hydroxy-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropoxy)phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-(thieno[2,3-d]pyrimidin-4-ylthio)propoxy]phenyl]propan-1-one Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=NC3=C2C=CS3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=NC3=C2C=CS3)O

InChI

InChI=1S/C18H18N2O3S2/c1-2-16(22)12-3-5-14(6-4-12)23-9-13(21)10-25-18-15-7-8-24-17(15)19-11-20-18/h3-8,11,13,21H,2,9-10H2,1H3