1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CN2C3=NC(=S)NC(=O)C3=CN2)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CN2C3=NC(=S)NC(=O)C3=CN2)O)Cl

InChI

InChI=1S/C13H11ClN4O2S/c14-8-3-1-7(2-4-8)10(19)6-18-11-9(5-15-18)12(20)17-13(21)16-11/h1-5,10,15,19H,6H2,(H,17,20,21)