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

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,4-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,4-dimethoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,4-dimethoxyphenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-27-15-8-9-16(19(10-15)28-2)18(26)12-29-21-17-11-24-25(20(17)22-13-23-21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3