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

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenethyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c27-18(22-12-11-15-7-3-1-4-8-15)14-29-21-24-19-17(13-23-25-19)20(28)26(21)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,22,27)(H,23,25)