4-imidazo[1,2-a]pyrimidin-2-ylbenzoic acid hydrate

Systemtic Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzoic acid hydrate Openeye Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzoic acid hydrate CAS Name: 4-(2-imidazo[1,2-a]pyrimidinyl)benzoic acid hydrate IUPAC Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzoic acid hydrate Traditional Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzoic acid hydrate Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C(=O)O.O

Isomeric SMILES

C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C(=O)O.O

InChI

InChI=1S/C13H9N3O2.H2O/c17-12(18)10-4-2-9(3-5-10)11-8-16-7-1-6-14-13(16)15-11;/h1-8H,(H,17,18);1H2