N-[(2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-N-[(E)-3-(octyldisulfanyl)-5-oxidanyl-pent-2-en-2-yl]methanamide

Systemtic Name: N-[(2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-N-[(E)-3-(octyldisulfanyl)-5-oxidanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(E)-4-hydroxy-1-methyl-2-(octyldisulfanyl)but-1-enyl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide CAS Name: N-[(E)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide IUPAC Name: N-[(E)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide Traditional Name: N-[(E)-4-hydroxy-1-methyl-2-(octyldisulfanyl)but-1-enyl]-N-[(6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]formamide Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSSC(=C(C)N(CC1=CN=C(NC1=O)C)C=O)CCO

Isomeric SMILES

CCCCCCCCSS/C(=C(\C)/N(CC1=CN=C(NC1=O)C)C=O)/CCO

InChI

InChI=1S/C20H33N3O3S2/c1-4-5-6-7-8-9-12-27-28-19(10-11-24)16(2)23(15-25)14-18-13-21-17(3)22-20(18)26/h13,15,24H,4-12,14H2,1-3H3,(H,21,22,26)/b19-16+