4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid CAS Name: 4-(2-imidazo[1,2-a]pyrimidinylmethylthio)benzoic acid IUPAC Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)benzoic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=C(N=C2N=C1)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CN2C=C(N=C2N=C1)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H11N3O2S/c18-13(19)10-2-4-12(5-3-10)20-9-11-8-17-7-1-6-15-14(17)16-11/h1-8H,9H2,(H,18,19)