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

Systemtic Name: N-[4-(dibutylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(dibutylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(dibutylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(dibutylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(dibutylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C30H49N5OS MolecularWeight: 527.80796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N5OS/c1-6-9-12-16-23-34(26-18-14-13-15-19-26)24-17-20-27(36)33-28-29(31-25(4)32-30(28)37-5)35(21-10-7-2)22-11-8-3/h13-15,18-19H,6-12,16-17,20-24H2,1-5H3,(H,33,36)