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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide Formula: C14H10ClN5O3S MolecularWeight: 363.7789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN5O3S/c15-14-19-12-11(16-5-17-12)13(20-14)24-4-10(21)18-7-1-2-8-9(3-7)23-6-22-8/h1-3,5H,4,6H2,(H,18,21)(H,16,17,19,20)