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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-chloranylpropanoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-chloropropanoate CAS Name: 3-chloropropanoic 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-chloropropanoate Traditional Name: 3-chloropropionic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S/c1-24-17-20-14-7-3-6-13(14)16(21-17)19-11-4-2-5-12(10-11)23-15(22)8-9-18/h2,4-5,10H,3,6-9H2,1H3,(H,19,20,21)