1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)ethanone Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O3S/c19-9(8-1-2-10-11(3-8)21-7-20-10)4-22-14-12-13(16-5-15-12)17-6-18-14/h1-3,5-6H,4,7H2,(H,15,16,17,18)