1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H21N5OS/c1-16-25-22-20(13-24-28(22)19-9-3-2-4-10-19)23(26-16)30-15-21(29)27-12-11-17-7-5-6-8-18(17)14-27/h2-10,13H,11-12,14-15H2,1H3