2-(2-dimethylaminoethylamino)-5-(4-fluoranyl-2-methyl-phenyl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-(2-dimethylaminoethylamino)-5-(4-fluoranyl-2-methyl-phenyl)pyrimidine-4-carboxylic acid Openeye Name: 2-(2-dimethylaminoethylamino)-5-(4-fluoro-2-methyl-phenyl)pyrimidine-4-carboxylic acid CAS Name: 2-(2-dimethylaminoethylamino)-5-(4-fluoro-2-methylphenyl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-(2-dimethylaminoethylamino)-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid Traditional Name: 2-(2-dimethylaminoethylamino)-5-(4-fluoro-2-methyl-phenyl)pyrimidine-4-carboxylic acid Formula: C16H19FN4O2 MolecularWeight: 318.346063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN4O2/c1-10-8-11(17)4-5-12(10)13-9-19-16(18-6-7-21(2)3)20-14(13)15(22)23/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)(H,18,19,20)