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

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]pentanamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]valeramide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)