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

Systemtic Name: 2-[6-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Openeye Name: 2-[6-(1-carbamoylpropylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide CAS Name: 2-[[6-[(1-amino-1-oxobutan-2-yl)thio]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanamide IUPAC Name: 2-[6-(1-amino-1-oxobutan-2-yl)sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Traditional Name: 2-[[6-(1-carbamoylpropylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]butyramide Formula: C19H22N6O2S2 MolecularWeight: 430.54698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(CC)C(=O)N

Isomeric SMILES

CCC(C(=O)N)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(CC)C(=O)N

InChI

InChI=1S/C19H22N6O2S2/c1-3-13(15(20)26)28-18-12-10-22-25(11-8-6-5-7-9-11)17(12)23-19(24-18)29-14(4-2)16(21)27/h5-10,13-14H,3-4H2,1-2H3,(H2,20,26)(H2,21,27)