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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S2/c1-28-20-23-18-7-3-6-17(18)19(24-20)22-14-4-2-5-15(12-14)27-29(25,26)16-10-8-13(21)9-11-16/h2,4-5,8-12H,3,6-7H2,1H3,(H,22,23,24)