2-[5-azanyl-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-azanyl-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-amino-2-(1,3-benzodioxol-5-yl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-amino-2-(1,3-benzodioxol-5-yl)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-amino-2-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-amino-2-(1,3-benzodioxol-5-yl)-6-keto-pyrimidin-1-yl]acetic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=O)N3CC(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=O)N3CC(=O)O)N

InChI

InChI=1S/C13H11N3O5/c14-8-4-15-12(16(13(8)19)5-11(17)18)7-1-2-9-10(3-7)21-6-20-9/h1-4H,5-6,14H2,(H,17,18)