2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]sulfanylpropanamide

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]sulfanylpropanamide Openeye Name: 2-[2-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylpropanamide CAS Name: 2-[[2-[(1-amino-1-oxopropan-2-yl)thio]-9-(2,3-dihydroxypropoxymethyl)-6-purinyl]thio]propanamide IUPAC Name: 2-[2-(1-amino-1-oxopropan-2-yl)sulfanyl-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylpropanamide Traditional Name: 2-[[2-[(2-amino-2-keto-1-methyl-ethyl)thio]-9-(glyceryloxymethyl)purin-6-yl]thio]propionamide Formula: C15H22N6O5S2 MolecularWeight: 430.50238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2COCC(CO)O)SC(C)C(=O)N

Isomeric SMILES

CC(C(=O)N)SC1=NC(=NC2=C1N=CN2COCC(CO)O)SC(C)C(=O)N

InChI

InChI=1S/C15H22N6O5S2/c1-7(11(16)24)27-14-10-13(19-15(20-14)28-8(2)12(17)25)21(5-18-10)6-26-4-9(23)3-22/h5,7-9,22-23H,3-4,6H2,1-2H3,(H2,16,24)(H2,17,25)