2-[2-[(4-fluorophenyl)amino]-5,6-dimethyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-5,6-dimethyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol Openeye Name: 2-[2-(4-fluoroanilino)-5,6-dimethyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol CAS Name: 2-[2-(4-fluoroanilino)-5,6-dimethyl-4-pyrimidinyl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol IUPAC Name: 2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol Traditional Name: 2-[2-(4-fluoroanilino)-5,6-dimethyl-pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline-5,8-diol Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2CCN1C3=NC(=NC(=C3C)C)NC4=CC=C(C=C4)F)O)O

Isomeric SMILES

CC1C2=C(C=CC(=C2CCN1C3=NC(=NC(=C3C)C)NC4=CC=C(C=C4)F)O)O

InChI

InChI=1S/C22H23FN4O2/c1-12-13(2)24-22(25-16-6-4-15(23)5-7-16)26-21(12)27-11-10-17-18(28)8-9-19(29)20(17)14(27)3/h4-9,14,28-29H,10-11H2,1-3H3,(H,24,25,26)