N-(4-cyanophenyl)-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C14H10N6O2S MolecularWeight: 326.3332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H10N6O2S/c15-5-8-1-3-9(4-2-8)17-11(21)7-23-14-18-12-10(6-16-20-12)13(22)19-14/h1-4,6H,7H2,(H,17,21)(H2,16,18,19,20,22)