2-[2-[(4-fluorophenyl)amino]-5-(hydroxymethyl)-6-methyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-5-(hydroxymethyl)-6-methyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-[2-(4-fluoroanilino)-5-(hydroxymethyl)-6-methyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-[2-(4-fluoroanilino)-5-(hydroxymethyl)-6-methyl-4-pyrimidinyl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-[2-(4-fluoroanilino)-5-(hydroxymethyl)-6-methylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-[2-(4-fluoroanilino)-6-methyl-5-methylol-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol Formula: C22H23FN4O2 MolecularWeight: 394.442023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1C3=NC(=NC(=C3CO)C)NC4=CC=C(C=C4)F)C=C(C=C2)O

Isomeric SMILES

CC1C2=C(CCN1C3=NC(=NC(=C3CO)C)NC4=CC=C(C=C4)F)C=C(C=C2)O

InChI

InChI=1S/C22H23FN4O2/c1-13-20(12-28)21(26-22(24-13)25-17-5-3-16(23)4-6-17)27-10-9-15-11-18(29)7-8-19(15)14(27)2/h3-8,11,14,28-29H,9-10,12H2,1-2H3,(H,24,25,26)