N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-piperonyl-acetamide Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O3S/c16-15-20-13-12(18-6-19-13)14(21-15)25-5-11(22)17-4-8-1-2-9-10(3-8)24-7-23-9/h1-3,6H,4-5,7H2,(H,17,22)(H,18,19,20,21)