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

Systemtic Name: 4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]benzoate IUPAC Name: 4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[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=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-21-15-17-12-4-2-3-11(12)13(18-15)16-10-7-5-9(6-8-10)14(19)20/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18)/p-1