6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C13H9BrN4O2S MolecularWeight: 365.20516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN4O2S/c14-8-3-1-7(2-4-8)10(19)6-21-13-16-11-9(5-15-18-11)12(20)17-13/h1-5H,6H2,(H2,15,16,17,18,20)