N-(3-ethoxypropyl)-4-methyl-2-[[6-octylsulfanyl-2-(3-oxidanyl-2-oxidanylidene-propyl)pyrimidin-4-yl]amino]pentanamide

Systemtic Name: N-(3-ethoxypropyl)-4-methyl-2-[[6-octylsulfanyl-2-(3-oxidanyl-2-oxidanylidene-propyl)pyrimidin-4-yl]amino]pentanamide Openeye Name: N-(3-ethoxypropyl)-2-[[2-(3-hydroxy-2-oxo-propyl)-6-octylsulfanyl-pyrimidin-4-yl]amino]-4-methyl-pentanamide CAS Name: N-(3-ethoxypropyl)-2-[[2-(3-hydroxy-2-oxopropyl)-6-(octylthio)-4-pyrimidinyl]amino]-4-methylpentanamide IUPAC Name: N-(3-ethoxypropyl)-2-[[2-(3-hydroxy-2-oxopropyl)-6-octylsulfanylpyrimidin-4-yl]amino]-4-methylpentanamide Traditional Name: N-(3-ethoxypropyl)-2-[[2-(3-hydroxy-2-keto-propyl)-6-(octylthio)pyrimidin-4-yl]amino]-4-methyl-valeramide Formula: C26H46N4O4S MolecularWeight: 510.73284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1)NC(CC(C)C)C(=O)NCCCOCC)CC(=O)CO

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1)NC(CC(C)C)C(=O)NCCCOCC)CC(=O)CO

InChI

InChI=1S/C26H46N4O4S/c1-5-7-8-9-10-11-15-35-25-18-24(29-23(30-25)17-21(32)19-31)28-22(16-20(3)4)26(33)27-13-12-14-34-6-2/h18,20,22,31H,5-17,19H2,1-4H3,(H,27,33)(H,28,29,30)