6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-(2-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-o-phenetyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O3S/c1-2-29-18-6-4-3-5-16(18)26-20(28)15-11-23-25-19(15)24-21(26)30-12-17(27)13-7-9-14(22)10-8-13/h3-11H,2,12H2,1H3,(H,23,25)