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

Systemtic Name: 2-[5-azanyl-2-(3-bromophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-amino-2-(3-bromophenyl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-amino-2-(3-bromophenyl)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-amino-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-amino-2-(3-bromophenyl)-6-keto-pyrimidin-1-yl]acetic acid Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC=C(C(=O)N2CC(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC=C(C(=O)N2CC(=O)O)N

InChI

InChI=1S/C12H10BrN3O3/c13-8-3-1-2-7(4-8)11-15-5-9(14)12(19)16(11)6-10(17)18/h1-5H,6,14H2,(H,17,18)