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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic 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] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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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)OC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(CCC2)C(=N1)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3S/c1-34-27-29-24-15-7-14-23(24)25(30-27)28-19-9-6-13-22(17-19)33-26(31)18-8-5-12-21(16-18)32-20-10-3-2-4-11-20/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,28,29,30)