[4-[2-azanyl-5-(3-chloranyl-2-fluoranyl-phenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-[2-azanyl-5-(3-chloranyl-2-fluoranyl-phenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-[2-amino-5-(3-chloro-2-fluoro-phenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[2-amino-5-(3-chloro-2-fluorophenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[2-amino-5-(3-chloro-2-fluoro-phenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H19ClFN5O MolecularWeight: 447.891963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=C(C(=CC=C5)Cl)F)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=C(C(=CC=C5)Cl)F)N

InChI

InChI=1S/C24H19ClFN5O/c25-19-7-3-6-17(21(19)26)18-12-29-24(27)30-22(18)16-10-20(28-11-16)23(32)31-9-8-14-4-1-2-5-15(14)13-31/h1-7,10-12,28H,8-9,13H2,(H2,27,29,30)