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

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11BrN4O2S MolecularWeight: 379.23174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Br)NN1

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Br)NN1

InChI

InChI=1S/C14H11BrN4O2S/c1-7-11-12(19-18-7)16-14(17-13(11)21)22-6-10(20)8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H2,16,17,18,19,21)