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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate CAS Name: 2-methoxy-4,5-dimethylbenzenesulfonic 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] 2-methoxy-4,5-dimethylbenzenesulfonate Traditional Name: 2-methoxy-4,5-dimethyl-benzenesulfonic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC)OC

InChI

InChI=1S/C23H25N3O4S2/c1-14-11-20(29-3)21(12-15(14)2)32(27,28)30-17-8-5-7-16(13-17)24-22-18-9-6-10-19(18)25-23(26-22)31-4/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,24,25,26)