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

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]sulfanylbutanamide Openeye Name: 2-[2-(1-carbamoylpropylsulfanyl)-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylbutanamide CAS Name: 2-[[2-[(1-amino-1-oxobutan-2-yl)thio]-9-(2,3-dihydroxypropoxymethyl)-6-purinyl]thio]butanamide IUPAC Name: 2-[2-(1-amino-1-oxobutan-2-yl)sulfanyl-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylbutanamide Traditional Name: 2-[[2-(1-carbamoylpropylthio)-9-(glyceryloxymethyl)purin-6-yl]thio]butyramide Formula: C17H26N6O5S2 MolecularWeight: 458.55554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O5S2/c1-3-10(13(18)26)29-16-12-15(21-17(22-16)30-11(4-2)14(19)27)23(7-20-12)8-28-6-9(25)5-24/h7,9-11,24-25H,3-6,8H2,1-2H3,(H2,18,26)(H2,19,27)