N-(4-tert-butylphenyl)-2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[5-cyano-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C#N)OC

InChI

InChI=1S/C27H30N4O4S/c1-6-13-35-21-12-7-17(14-22(21)34-5)24-20(15-28)25(33)31-26(30-24)36-16-23(32)29-19-10-8-18(9-11-19)27(2,3)4/h7-12,14H,6,13,16H2,1-5H3,(H,29,32)(H,30,31,33)