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

Systemtic Name: 2-[6-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-1-(2-hydroxyethyloxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Openeye Name: 2-[6-(1-carbamoylpropylsulfanyl)-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide CAS Name: 2-[[6-[(1-amino-1-oxobutan-2-yl)thio]-1-(2-hydroxyethoxymethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanamide IUPAC Name: 2-[6-(1-amino-1-oxobutan-2-yl)sulfanyl-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Traditional Name: 2-[[6-(1-carbamoylpropylthio)-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-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=C1C=NN2COCCO)SC(CC)C(=O)N

Isomeric SMILES

CCC(C(=O)N)SC1=NC(=NC2=C1C=NN2COCCO)SC(CC)C(=O)N

InChI

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