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

Systemtic Name: N-tert-butyl-2-[5-butyl-1-(2-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[5-butyl-6-hydroxy-1-(o-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[5-butyl-6-hydroxy-1-(2-methylphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[5-butyl-6-hydroxy-1-(2-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[5-butyl-6-hydroxy-4-keto-1-(o-tolyl)pyrimidin-2-yl]thio]acetamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=CC=C2C)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=CC=C2C)O

InChI

InChI=1S/C21H29N3O3S/c1-6-7-11-15-18(26)22-20(28-13-17(25)23-21(3,4)5)24(19(15)27)16-12-9-8-10-14(16)2/h8-10,12,27H,6-7,11,13H2,1-5H3,(H,23,25)