2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]hexanamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]hexanamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

Isomeric SMILES

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

InChI

InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)