3-[3-(6-azanylpyrimidin-4-yl)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-(6-azanylpyrimidin-4-yl)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(6-aminopyrimidin-4-yl)phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-(6-amino-4-pyrimidinyl)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-(6-aminopyrimidin-4-yl)phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-(6-aminopyrimidin-4-yl)phenyl]-3-keto-propionic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CC(=O)O)C2=CC(=NC=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CC(=O)O)C2=CC(=NC=N2)N

InChI

InChI=1S/C13H11N3O3/c14-12-5-10(15-7-16-12)8-2-1-3-9(4-8)11(17)6-13(18)19/h1-5,7H,6H2,(H,18,19)(H2,14,15,16)