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

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C26H41N5OS MolecularWeight: 471.70164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C26H41N5OS/c1-6-9-10-14-19-31(22-16-12-11-13-17-22)20-15-18-23(32)29-24-25(30(7-2)8-3)27-21(4)28-26(24)33-5/h11-13,16-17H,6-10,14-15,18-20H2,1-5H3,(H,29,32)