4-(2-pyrimidin-2-ylsulfanylethanoyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethanoyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Openeye Name: 4-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one CAS Name: 4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-2-spiro[1H-quinoxaline-3,1'-cyclopentane]one IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Traditional Name: 4-[2-(2-pyrimidylthio)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C18H18N4O2S/c23-15(12-25-17-19-10-5-11-20-17)22-14-7-2-1-6-13(14)21-16(24)18(22)8-3-4-9-18/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,21,24)