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

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]butanamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]butyramide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)