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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

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