N-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoyl]-2-(oxidanylamino)pentanamide

Systemtic Name: N-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoyl]-2-(oxidanylamino)pentanamide Openeye Name: N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoyl]-2-(hydroxyamino)pentanamide CAS Name: N-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(methylthio)-6-purinyl]amino]-oxomethyl]-2-(hydroxyamino)pentanamide IUPAC Name: N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpurin-6-yl]carbamoyl]-2-(hydroxyamino)pentanamide Traditional Name: N-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-(methylthio)purin-6-yl]carbamoyl]-2-(hydroxyamino)valeramide Formula: C17H25N7O7S MolecularWeight: 471.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(=O)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)NO

Isomeric SMILES

CCCC(C(=O)NC(=O)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)NO

InChI

InChI=1S/C17H25N7O7S/c1-3-4-7(23-30)14(28)22-16(29)19-12-9-13(21-17(20-12)32-2)24(6-18-9)15-11(27)10(26)8(5-25)31-15/h6-8,10-11,15,23,25-27,30H,3-5H2,1-2H3,(H2,19,20,21,22,28,29)