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

Systemtic Name: N-[(2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-N-[(Z)-3-(nonyldisulfanyl)-5-oxidanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(Z)-4-hydroxy-1-methyl-2-(nonyldisulfanyl)but-1-enyl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide CAS Name: N-[(Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide IUPAC Name: N-[(Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide Traditional Name: N-[(Z)-4-hydroxy-1-methyl-2-(nonyldisulfanyl)but-1-enyl]-N-[(6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]formamide Formula: C21H35N3O3S2 MolecularWeight: 441.6509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S2/c1-4-5-6-7-8-9-10-13-28-29-20(11-12-25)17(2)24(16-26)15-19-14-22-18(3)23-21(19)27/h14,16,25H,4-13,15H2,1-3H3,(H,22,23,27)/b20-17-