2-(pyrimidin-2-ylamino)sulfanylisoindole-1,3-dione

Systemtic Name: 2-(pyrimidin-2-ylamino)sulfanylisoindole-1,3-dione Openeye Name: 2-(pyrimidin-2-ylamino)sulfanylisoindoline-1,3-dione CAS Name: 1,3-dioxo-N-(2-pyrimidinyl)-2-isoindolesulfenamide IUPAC Name: 2-(pyrimidin-2-ylamino)sulfanylisoindole-1,3-dione Traditional Name: 2-[(2-pyrimidylamino)thio]isoindoline-1,3-quinone Formula: C12H8N4O2S MolecularWeight: 272.28252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)SNC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)SNC3=NC=CC=N3

InChI

InChI=1S/C12H8N4O2S/c17-10-8-4-1-2-5-9(8)11(18)16(10)19-15-12-13-6-3-7-14-12/h1-7H,(H,13,14,15)