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

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylethanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)N)N

InChI

InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)