2-[6-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-1-(4-oxidanylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide

Systemtic Name: 2-[6-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-1-(4-oxidanylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Openeye Name: 2-[6-(1-carbamoylpropylsulfanyl)-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide CAS Name: 2-[[6-[(1-amino-1-oxobutan-2-yl)thio]-1-(4-hydroxybutyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanamide IUPAC Name: 2-[6-(1-amino-1-oxobutan-2-yl)sulfanyl-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Traditional Name: 2-[[6-(1-carbamoylpropylthio)-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-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=C1C=NN2CCCCO)SC(CC)C(=O)N

Isomeric SMILES

CCC(C(=O)N)SC1=NC(=NC2=C1C=NN2CCCCO)SC(CC)C(=O)N

InChI

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