1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-(4,6-dimethyl-2-pyrimidinyl)guanidine IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C22H23FN6 MolecularWeight: 390.456623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)F)C

InChI

InChI=1S/C22H23FN6/c1-14-11-15(2)26-22(25-14)28-21(24)27-18-7-8-20(19(23)12-18)29-10-9-16-5-3-4-6-17(16)13-29/h3-8,11-12H,9-10,13H2,1-2H3,(H3,24,25,26,27,28)