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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H14ClN5O3S/c17-16-21-14-13(18-8-19-14)15(22-16)26-6-3-12(23)20-9-1-2-10-11(7-9)25-5-4-24-10/h1-2,7-8H,3-6H2,(H,20,23)(H,18,19,21,22)