1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)-2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C)(C)C

InChI

InChI=1S/C27H27N5O2S/c1-17-14-27(3,4)31(23-12-11-20(34-5)13-21(17)23)24(33)16-35-26-22-15-28-32(19-9-7-6-8-10-19)25(22)29-18(2)30-26/h6-15H,16H2,1-5H3