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

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-9-(4-oxidanylbutyl)purin-6-yl]sulfanylbutanamide Openeye Name: 2-[2-(1-carbamoylpropylsulfanyl)-9-(4-hydroxybutyl)purin-6-yl]sulfanylbutanamide CAS Name: 2-[[2-[(1-amino-1-oxobutan-2-yl)thio]-9-(4-hydroxybutyl)-6-purinyl]thio]butanamide IUPAC Name: 2-[2-(1-amino-1-oxobutan-2-yl)sulfanyl-9-(4-hydroxybutyl)purin-6-yl]sulfanylbutanamide Traditional Name: 2-[[2-(1-carbamoylpropylthio)-9-(4-hydroxybutyl)purin-6-yl]thio]butyramide Formula: C17H26N6O3S2 MolecularWeight: 426.55674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O3S2/c1-3-10(13(18)25)27-16-12-15(23(9-20-12)7-5-6-8-24)21-17(22-16)28-11(4-2)14(19)26/h9-11,24H,3-8H2,1-2H3,(H2,18,25)(H2,19,26)