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

Systemtic Name: 4-[hexyl(phenyl)amino]-N-(2-methyl-6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidin-5-yl)butanamide Openeye Name: 4-(N-hexylanilino)-N-(2-methyl-6-morpholino-4-thioxo-1H-pyrimidin-5-yl)butanamide CAS Name: 4-(N-hexylanilino)-N-[2-methyl-6-(4-morpholinyl)-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide IUPAC Name: 4-(N-hexylanilino)-N-(2-methyl-6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidin-5-yl)butanamide Traditional Name: 4-(N-hexylanilino)-N-(2-methyl-6-morpholino-4-thioxo-1H-pyrimidin-5-yl)butyramide Formula: C25H37N5O2S MolecularWeight: 471.65858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H37N5O2S/c1-3-4-5-9-14-29(21-11-7-6-8-12-21)15-10-13-22(31)28-23-24(26-20(2)27-25(23)33)30-16-18-32-19-17-30/h6-8,11-12H,3-5,9-10,13-19H2,1-2H3,(H,28,31)(H,26,27,33)