2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C22H18FN3OS/c23-17-7-5-15(6-8-17)18-13-28-22-20(18)21(27)24-19(25-22)12-26-10-9-14-3-1-2-4-16(14)11-26/h1-8,13H,9-12H2,(H,24,25,27)