2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl]sulfanylpropanamide

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl]sulfanylpropanamide Openeye Name: 2-[2-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylpropanamide CAS Name: 2-[[2-[(1-amino-1-oxopropan-2-yl)thio]-9-(2-hydroxyethoxymethyl)-6-purinyl]thio]propanamide IUPAC Name: 2-[2-(1-amino-1-oxopropan-2-yl)sulfanyl-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylpropanamide Traditional Name: 2-[[2-[(2-amino-2-keto-1-methyl-ethyl)thio]-9-(2-hydroxyethoxymethyl)purin-6-yl]thio]propionamide Formula: C14H20N6O4S2 MolecularWeight: 400.4764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2COCCO)SC(C)C(=O)N

Isomeric SMILES

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2COCCO)SC(C)C(=O)N

InChI

InChI=1S/C14H20N6O4S2/c1-7(10(15)22)25-13-9-12(20(5-17-9)6-24-4-3-21)18-14(19-13)26-8(2)11(16)23/h5,7-8,21H,3-4,6H2,1-2H3,(H2,15,22)(H2,16,23)