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

Systemtic Name: 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylate Openeye Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinecarboxylate IUPAC Name: 2-(benzylamino)-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylate Formula: C12H9ClN3O2- MolecularWeight: 262.67176

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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)/p-1