N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H11N5O3S MolecularWeight: 329.33384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H11N5O3S/c20-11(19-8-1-2-9-10(3-8)22-7-21-9)4-23-14-12-13(16-5-15-12)17-6-18-14/h1-3,5-6H,4,7H2,(H,19,20)(H,15,16,17,18)