6-(2-pyrimidin-2-ylsulfanylethanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-pyrimidin-2-ylsulfanylethanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(2-pyrimidin-2-ylsulfanylacetyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-pyrimidin-2-ylsulfanylacetyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-pyrimidylthio)acetyl]-4H-1,4-benzoxazin-3-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C14H11N3O3S/c18-11(8-21-14-15-4-1-5-16-14)9-2-3-12-10(6-9)17-13(19)7-20-12/h1-6H,7-8H2,(H,17,19)