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

Systemtic Name: 7-azanyl-6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-amino-6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one CAS Name: 7-amino-6-(2-pyrimidinylthio)-4H-1,4-benzoxazin-3-one IUPAC Name: 7-amino-6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-amino-6-(2-pyrimidylthio)-4H-1,4-benzoxazin-3-one Formula: C12H10N4O2S MolecularWeight: 274.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)N)SC3=NC=CC=N3

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)N)SC3=NC=CC=N3

InChI

InChI=1S/C12H10N4O2S/c13-7-4-9-8(16-11(17)6-18-9)5-10(7)19-12-14-2-1-3-15-12/h1-5H,6,13H2,(H,16,17)