1-(3-bromanyl-4-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)Br

InChI

InChI=1S/C20H15BrN4O2S/c1-27-18-8-7-13(9-16(18)21)17(26)11-28-20-15-10-24-25(19(15)22-12-23-20)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3