2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-(4-oxidanylbutyl)purin-6-yl]sulfanylpropanamide

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-(4-oxidanylbutyl)purin-6-yl]sulfanylpropanamide Openeye Name: 2-[2-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-9-(4-hydroxybutyl)purin-6-yl]sulfanylpropanamide CAS Name: 2-[[2-[(1-amino-1-oxopropan-2-yl)thio]-9-(4-hydroxybutyl)-6-purinyl]thio]propanamide IUPAC Name: 2-[2-(1-amino-1-oxopropan-2-yl)sulfanyl-9-(4-hydroxybutyl)purin-6-yl]sulfanylpropanamide Traditional Name: 2-[[2-[(2-amino-2-keto-1-methyl-ethyl)thio]-9-(4-hydroxybutyl)purin-6-yl]thio]propionamide Formula: C15H22N6O3S2 MolecularWeight: 398.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2CCCCO)SC(C)C(=O)N

Isomeric SMILES

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2CCCCO)SC(C)C(=O)N

InChI

InChI=1S/C15H22N6O3S2/c1-8(11(16)23)25-14-10-13(21(7-18-10)5-3-4-6-22)19-15(20-14)26-9(2)12(17)24/h7-9,22H,3-6H2,1-2H3,(H2,16,23)(H2,17,24)