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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCC2)C(=N1)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(CCC2)C(=N1)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S2/c1-27-20-22-18-12-6-11-17(18)19(23-20)21-14-7-5-8-15(13-14)26-28(24,25)16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,22,23)