2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanylidene-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanylidene-3-phenylmethoxy-propanoic acid Openeye Name: 2-(4-amino-2-oxo-pyrimidin-1-yl)-3-benzyloxy-3-oxo-propanoic acid CAS Name: 2-(4-amino-2-oxo-1-pyrimidinyl)-3-oxo-3-phenylmethoxypropanoic acid IUPAC Name: 2-(4-amino-2-oxopyrimidin-1-yl)-3-oxo-3-phenylmethoxypropanoic acid Traditional Name: 2-(4-amino-2-keto-pyrimidin-1-yl)-3-benzoxy-3-keto-propionic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(=O)O)N2C=CC(=NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(=O)O)N2C=CC(=NC2=O)N

InChI

InChI=1S/C14H13N3O5/c15-10-6-7-17(14(21)16-10)11(12(18)19)13(20)22-8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,18,19)(H2,15,16,21)