3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: 3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]benzoate IUPAC Name: 3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]benzoate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-21-15-17-12-7-3-6-11(12)13(18-15)16-10-5-2-4-9(8-10)14(19)20/h2,4-5,8H,3,6-7H2,1H3,(H,19,20)(H,16,17,18)/p-1