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

Systemtic Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-[hexyl(phenyl)amino]pentanamide Openeye Name: N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-5-(N-hexylanilino)pentanamide CAS Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-(N-hexylanilino)pentanamide IUPAC Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-(N-hexylanilino)pentanamide Traditional Name: N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-5-(N-hexylanilino)valeramide Formula: C26H41N5OS MolecularWeight: 471.70164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N5OS/c1-5-8-9-14-19-31(22-16-11-10-12-17-22)20-15-13-18-23(32)29-24-25(30(6-2)7-3)27-21(4)28-26(24)33/h10-12,16-17H,5-9,13-15,18-20H2,1-4H3,(H,29,32)(H,27,28,33)