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

Systemtic Name: N-[6-(butylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[6-(butylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[6-(butylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[6-(butylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[6-(butylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C25H39N5OS MolecularWeight: 457.67506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N5OS/c1-4-6-8-12-18-30(21-14-10-9-11-15-21)19-13-16-22(31)29-23-24(26-17-7-5-2)27-20(3)28-25(23)32/h9-11,14-15H,4-8,12-13,16-19H2,1-3H3,(H,29,31)(H2,26,27,28,32)