6-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c1-15(22(30)27-12-11-16-7-5-6-8-17(16)14-27)31-23-25-20-19(21(29)26-23)13-24-28(20)18-9-3-2-4-10-18/h2-10,13,15,24H,11-12,14H2,1H3/t15-/m0/s1