2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl furan-2-carboxylate

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl furan-2-carboxylate Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C3=CC=CO3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C3=CC=CO3)C#N

InChI

InChI=1S/C23H24N4O3S/c1-23(2,3)16-9-7-15(8-10-16)19-17(14-24)20(27-22(26-19)31-4)25-11-13-30-21(28)18-6-5-12-29-18/h5-10,12H,11,13H2,1-4H3,(H,25,26,27)