[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCC(CC)C(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C23H25N3O2S/c1-4-16(5-2)22(27)28-19-13-9-12-18(14-19)24-21-15-20(25-23(26-21)29-3)17-10-7-6-8-11-17/h6-16H,4-5H2,1-3H3,(H,24,25,26)