2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4S/c1-28-18-9-14(10-19(29-2)20(18)30-3)17(27)12-31-22-16-11-25-26(21(16)23-13-24-22)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3