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

Systemtic Name: N-methyl-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-methyl-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-methyl-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H13N5O2S/c1-19(9-5-3-2-4-6-9)11(20)8-22-14-16-12-10(7-15-18-12)13(21)17-14/h2-7H,8H2,1H3,(H2,15,16,17,18,21)