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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] benzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-27-21-23-18-12-6-11-17(18)19(24-21)22-15-9-5-10-16(13-15)26-20(25)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,23,24)