N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H13N5O3S MolecularWeight: 343.36042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H13N5O3S/c21-12(6-24-15-13-14(17-7-16-13)18-8-19-15)20-9-1-2-10-11(5-9)23-4-3-22-10/h1-2,5,7-8H,3-4,6H2,(H,20,21)(H,16,17,18,19)