2-azanyl-N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-sulfanyl-butanamide

Systemtic Name: 2-azanyl-N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-sulfanyl-butanamide Openeye Name: 2-amino-N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-sulfanyl-butanamide CAS Name: 2-amino-N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-4-mercaptobutanamide IUPAC Name: 2-amino-N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-4-sulfanylbutanamide Traditional Name: 2-amino-N-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]-4-mercapto-butyramide Formula: C14H20N6O5S MolecularWeight: 384.4108

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NC(=O)C(CCS)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NC(=O)C(CCS)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C14H20N6O5S/c15-6(1-2-26)13(24)19-11-8-12(17-4-16-11)20(5-18-8)14-10(23)9(22)7(3-21)25-14/h4-7,9-10,14,21-23,26H,1-3,15H2,(H,16,17,19,24)