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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-5-13(6-2)17(22)23-15-9-7-14(8-10-15)20-16-11-12(3)19-18(21-16)24-4/h7-11,13H,5-6H2,1-4H3,(H,19,20,21)