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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-chloranylpropanoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-chloropropanoate CAS Name: 2-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] 2-chloropropanoate Traditional Name: 2-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:

CC(C(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2CCC3)SC)Cl

Isomeric SMILES

CC(C(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2CCC3)SC)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-10(18)16(22)23-12-6-3-5-11(9-12)19-15-13-7-4-8-14(13)20-17(21-15)24-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,20,21)