3-[(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one

Systemtic Name: 3-[(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one Openeye Name: 3-[(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one CAS Name: 3-[(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)methyl]-2-(2-fluorophenyl)-8-methyl-1-isoquinolinone IUPAC Name: 3-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one Traditional Name: 3-[(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isocarbostyril Formula: C22H16FIN6O MolecularWeight: 526.304913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C(=C2)CN3C4=C(C(=NC=N4)N)C(=N3)I)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C(=C2)CN3C4=C(C(=NC=N4)N)C(=N3)I)C5=CC=CC=C5F

InChI

InChI=1S/C22H16FIN6O/c1-12-5-4-6-13-9-14(10-29-21-18(19(24)28-29)20(25)26-11-27-21)30(22(31)17(12)13)16-8-3-2-7-15(16)23/h2-9,11H,10H2,1H3,(H2,25,26,27)