2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]oxyethanoic acid

Systemtic Name: 2-[4-azanyl-5-(phenylmethyl)pyrimidin-2-yl]oxyethanoic acid Openeye Name: 2-(4-amino-5-benzyl-pyrimidin-2-yl)oxyacetic acid CAS Name: 2-[[4-amino-5-(phenylmethyl)-2-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(4-amino-5-benzylpyrimidin-2-yl)oxyacetic acid Traditional Name: 2-(4-amino-5-benzyl-pyrimidin-2-yl)oxyacetic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(N=C2N)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(N=C2N)OCC(=O)O

InChI

InChI=1S/C13H13N3O3/c14-12-10(6-9-4-2-1-3-5-9)7-15-13(16-12)19-8-11(17)18/h1-5,7H,6,8H2,(H,17,18)(H2,14,15,16)