6-[(4-bromophenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H13BrN4O2S MolecularWeight: 381.24762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)CCO)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)CCO)Br

InChI

InChI=1S/C14H13BrN4O2S/c15-10-3-1-9(2-4-10)8-22-14-17-12-11(13(21)18-14)7-16-19(12)5-6-20/h1-4,7,16,20H,5-6,8H2