6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one CAS Name: 6-(2-pyrimidinylthio)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-(2-pyrimidylthio)-4H-1,4-benzoxazin-3-one Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=NC=CC=N3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=NC=CC=N3

InChI

InChI=1S/C12H9N3O2S/c16-11-7-17-10-3-2-8(6-9(10)15-11)18-12-13-4-1-5-14-12/h1-6H,7H2,(H,15,16)