2-[3-(dimethylamino)propoxy]-5-(4-fluoranyl-2-methyl-phenyl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-[3-(dimethylamino)propoxy]-5-(4-fluoranyl-2-methyl-phenyl)pyrimidine-4-carboxylic acid Openeye Name: 2-[3-(dimethylamino)propoxy]-5-(4-fluoro-2-methyl-phenyl)pyrimidine-4-carboxylic acid CAS Name: 2-[3-(dimethylamino)propoxy]-5-(4-fluoro-2-methylphenyl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-[3-(dimethylamino)propoxy]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid Traditional Name: 2-[3-(dimethylamino)propoxy]-5-(4-fluoro-2-methyl-phenyl)pyrimidine-4-carboxylic acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=CN=C(N=C2C(=O)O)OCCCN(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=CN=C(N=C2C(=O)O)OCCCN(C)C

InChI

InChI=1S/C17H20FN3O3/c1-11-9-12(18)5-6-13(11)14-10-19-17(20-15(14)16(22)23)24-8-4-7-21(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23)