5-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCC2)C(=N1)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CSC1=NC2=C(CCC2)C(=N1)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-22-15-17-11-4-2-3-9(11)13(18-15)16-8-5-6-12(19)10(7-8)14(20)21/h5-7,19H,2-4H2,1H3,(H,20,21)(H,16,17,18)