5-chloranyl-2-[[(1S)-1-phenylethyl]amino]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[[(1S)-1-phenylethyl]amino]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[[(1S)-1-phenylethyl]amino]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[(1S)-1-phenylethyl]amino]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[[(1S)-1-phenylethyl]amino]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[(1S)-1-phenylethyl]amino]pyrimidine-4-carboxylate Formula: C13H11ClN3O2- MolecularWeight: 276.69834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O2/c1-8(9-5-3-2-4-6-9)16-13-15-7-10(14)11(17-13)12(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)/p-1/t8-/m0/s1