(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)cyclohexan-1-one

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)cyclohexan-1-one Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)cyclohexanone CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-cyclohexanone IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)cyclohexan-1-one Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylthio)cyclohexanone Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C16H14N2O2S/c19-11-6-2-4-8-13(11)21-16-15-14(17-9-18-16)10-5-1-3-7-12(10)20-15/h1,3,5,7,9,13H,2,4,6,8H2/t13-/m0/s1