N-[6-(diethylamino)-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide

Systemtic Name: N-[6-(diethylamino)-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[6-(diethylamino)-2-methylsulfanyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[6-(diethylamino)-2-(methylthio)-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[6-(diethylamino)-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[6-(diethylamino)-2-(methylthio)-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C25H39N5OS2 MolecularWeight: 489.74006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)SC)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)SC)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C25H39N5OS2/c1-5-8-9-13-18-30(20-15-11-10-12-16-20)19-14-17-21(31)26-22-23(29(6-2)7-3)27-25(33-4)28-24(22)32/h10-12,15-16H,5-9,13-14,17-19H2,1-4H3,(H,26,31)(H,27,28,32)