4-chloranyl-2-(phenylmethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-2-(phenylmethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-benzyl-4-chloro-pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(phenylmethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-benzyl-4-chloropyrimidine-5-carboxylic acid Traditional Name: 2-benzyl-4-chloro-pyrimidine-5-carboxylic acid Formula: C12H9ClN2O2 MolecularWeight: 248.66506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=C(C(=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=C(C(=N2)Cl)C(=O)O

InChI

InChI=1S/C12H9ClN2O2/c13-11-9(12(16)17)7-14-10(15-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)