1-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-methylsulfanyl-benzimidazole-5-carboxamide

Systemtic Name: 1-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-methylsulfanyl-benzimidazole-5-carboxamide Openeye Name: 1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-methylsulfanyl-benzimidazole-5-carboxamide CAS Name: 1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-2-(methylthio)-5-benzimidazolecarboxamide IUPAC Name: 1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylsulfanylbenzimidazole-5-carboxamide Traditional Name: 1-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl]-2-(methylthio)benzimidazole-5-carboxamide Formula: C19H20N8O4S MolecularWeight: 456.4783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=CC(=C2)C(=O)N

Isomeric SMILES

CSC1=NC2=C(N1CC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=CC(=C2)C(=O)N

InChI

InChI=1S/C19H20N8O4S/c1-32-19-25-9-4-8(16(21)30)2-3-10(9)26(19)5-11-13(28)14(29)18(31-11)27-7-24-12-15(20)22-6-23-17(12)27/h2-4,6-7,11,13-14,18,28-29H,5H2,1H3,(H2,21,30)(H2,20,22,23)