N-(3-methylsulfanylphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-keto-3,7-dihydropurin-2-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C14H13N5O2S2/c1-22-9-4-2-3-8(5-9)17-10(20)6-23-14-18-12-11(13(21)19-14)15-7-16-12/h2-5,7H,6H2,1H3,(H,17,20)(H2,15,16,18,19,21)