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

Systemtic Name: N-[4-(dipropylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(dipropylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(dipropylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(dipropylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(dipropylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C28H45N5OS MolecularWeight: 499.7548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5OS/c1-6-9-10-14-21-32(24-16-12-11-13-17-24)22-15-18-25(34)31-26-27(33(19-7-2)20-8-3)29-23(4)30-28(26)35-5/h11-13,16-17H,6-10,14-15,18-22H2,1-5H3,(H,31,34)