N-(8-methylsulfanyl-6-oxidanylidene-3,7-dihydropurin-2-yl)-2-phenyl-ethanamide

Systemtic Name: N-(8-methylsulfanyl-6-oxidanylidene-3,7-dihydropurin-2-yl)-2-phenyl-ethanamide Openeye Name: N-(8-methylsulfanyl-6-oxo-3,7-dihydropurin-2-yl)-2-phenyl-acetamide CAS Name: N-[8-(methylthio)-6-oxo-3,7-dihydropurin-2-yl]-2-phenylacetamide IUPAC Name: N-(8-methylsulfanyl-6-oxo-3,7-dihydropurin-2-yl)-2-phenylacetamide Traditional Name: N-[6-keto-8-(methylthio)-3,7-dihydropurin-2-yl]-2-phenyl-acetamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1)C(=O)N=C(N2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(N1)C(=O)N=C(N2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O2S/c1-22-14-16-10-11(18-14)17-13(19-12(10)21)15-9(20)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,15,16,17,18,19,20,21)