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

Systemtic Name: 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylic acid Openeye Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinecarboxylic acid IUPAC Name: 2-(benzylamino)-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylic acid Formula: C12H10ClN3O2 MolecularWeight: 263.6797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C12H10ClN3O2/c13-9-7-15-12(16-10(9)11(17)18)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,18)(H,14,15,16)