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

Systemtic Name: N-[6-(dibutylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[6-(dibutylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[6-(dibutylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[6-(dibutylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[6-(dibutylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C29H47N5OS MolecularWeight: 513.78138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47N5OS/c1-5-8-11-15-22-33(25-17-13-12-14-18-25)23-16-19-26(35)32-27-28(30-24(4)31-29(27)36)34(20-9-6-2)21-10-7-3/h12-14,17-18H,5-11,15-16,19-23H2,1-4H3,(H,32,35)(H,30,31,36)