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

Systemtic Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] butanoate Openeye Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] butanoate CAS Name: butanoic acid [4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] butanoate Traditional Name: butyric acid [4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-3-5-16(22)23-13-10-8-12(9-11-13)19-17-14-6-4-7-15(14)20-18(21-17)24-2/h8-11H,3-7H2,1-2H3,(H,19,20,21)