N-tert-butyl-2-[5-butyl-1-(4-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[5-butyl-1-(4-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[5-butyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[5-butyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[5-butyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[5-butyl-6-hydroxy-4-keto-1-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C21H29N3O4S/c1-6-7-8-16-18(26)22-20(29-13-17(25)23-21(2,3)4)24(19(16)27)14-9-11-15(28-5)12-10-14/h9-12,27H,6-8,13H2,1-5H3,(H,23,25)