N-(7H-purin-6-yl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(7H-purin-6-yl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(7H-purin-6-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(7H-purin-6-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(7H-purin-6-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(7H-purin-6-yl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C14H10N6O4S MolecularWeight: 358.332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H10N6O4S/c21-10(19-13-11-12(16-6-15-11)17-7-18-13)5-20-14(22)8-3-1-2-4-9(8)25(20,23)24/h1-4,6-7H,5H2,(H2,15,16,17,18,19,21)