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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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-ethylbutanoate Traditional Name: 2-ethylbutyric acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-4-13(5-2)19(24)25-15-9-6-8-14(12-15)21-18-16-10-7-11-17(16)22-20(23-18)26-3/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,21,22,23)