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

Systemtic Name: N-[6-(dipropylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[6-(dipropylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[6-(dipropylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[6-(dipropylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[6-(dipropylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C27H43N5OS MolecularWeight: 485.72822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5OS/c1-5-8-9-13-20-31(23-15-11-10-12-16-23)21-14-17-24(33)30-25-26(28-22(4)29-27(25)34)32(18-6-2)19-7-3/h10-12,15-16H,5-9,13-14,17-21H2,1-4H3,(H,30,33)(H,28,29,34)