6-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H11N3O3S2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H11N3O3S2/c20-12(7-24-16-10-3-4-23-15(10)17-8-18-16)9-1-2-13-11(5-9)19-14(21)6-22-13/h1-5,8H,6-7H2,(H,19,21)