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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-piperonyl-2-(7H-purin-6-ylthio)acetamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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