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

Systemtic Name: N-[4-(butylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(butylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(butylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(butylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(butylamino)-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)NCCCC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H41N5OS/c1-5-7-9-13-19-31(22-15-11-10-12-16-22)20-14-17-23(32)30-24-25(27-18-8-6-2)28-21(3)29-26(24)33-4/h10-12,15-16H,5-9,13-14,17-20H2,1-4H3,(H,30,32)(H,27,28,29)