2-(5-azanyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(5-azanyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(5-amino-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(5-amino-4-oxo-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(5-amino-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(5-amino-4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenyl-acetamide Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C19H16N6O2S/c20-24-18(27)15-11-21-25(14-9-5-2-6-10-14)17(15)23-19(24)28-12-16(26)22-13-7-3-1-4-8-13/h1-11H,12,20H2,(H,22,26)