3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: 3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one Openeye Name: 3-(pyrimidin-2-ylamino)-3H-isobenzofuran-1-one CAS Name: 3-(2-pyrimidinylamino)-3H-isobenzofuran-1-one IUPAC Name: 3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one Traditional Name: 3-(2-pyrimidylamino)phthalide Formula: C12H9N3O2 MolecularWeight: 227.21876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)NC3=NC=CC=N3

InChI

InChI=1S/C12H9N3O2/c16-11-9-5-2-1-4-8(9)10(17-11)15-12-13-6-3-7-14-12/h1-7,10H,(H,13,14,15)