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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C14H12IN5O2S MolecularWeight: 441.24685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H12IN5O2S/c1-7-4-8(15)2-3-10(7)17-11(21)6-23-14-18-12-9(5-16-20-12)13(22)19-14/h2-5H,6H2,1H3,(H,17,21)(H2,16,18,19,20,22)