2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl]sulfanylbutanamide

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl]sulfanylbutanamide Openeye Name: 2-[2-(1-carbamoylpropylsulfanyl)-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylbutanamide CAS Name: 2-[[2-[(1-amino-1-oxobutan-2-yl)thio]-9-(2-hydroxyethoxymethyl)-6-purinyl]thio]butanamide IUPAC Name: 2-[2-(1-amino-1-oxobutan-2-yl)sulfanyl-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylbutanamide Traditional Name: 2-[[2-(1-carbamoylpropylthio)-9-(2-hydroxyethoxymethyl)purin-6-yl]thio]butyramide Formula: C16H24N6O4S2 MolecularWeight: 428.52956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O4S2/c1-3-9(12(17)24)27-15-11-14(22(7-19-11)8-26-6-5-23)20-16(21-15)28-10(4-2)13(18)25/h7,9-10,23H,3-6,8H2,1-2H3,(H2,17,24)(H2,18,25)