5-bromanyl-2-[methyl-(phenylmethyl)amino]pyrimidine-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-[methyl-(phenylmethyl)amino]pyrimidine-4-carboxylic acid Openeye Name: 2-[benzyl(methyl)amino]-5-bromo-pyrimidine-4-carboxylic acid CAS Name: 5-bromo-2-[methyl-(phenylmethyl)amino]-4-pyrimidinecarboxylic acid IUPAC Name: 2-[benzyl(methyl)amino]-5-bromopyrimidine-4-carboxylic acid Traditional Name: 2-[benzyl(methyl)amino]-5-bromo-pyrimidine-4-carboxylic acid Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=C(C(=N2)C(=O)O)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=C(C(=N2)C(=O)O)Br

InChI

InChI=1S/C13H12BrN3O2/c1-17(8-9-5-3-2-4-6-9)13-15-7-10(14)11(16-13)12(18)19/h2-7H,8H2,1H3,(H,18,19)