2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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