N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-3-[hexyl(phenyl)amino]propanamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-3-[hexyl(phenyl)amino]propanamide Openeye Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-3-(N-hexylanilino)propanamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-3-(N-hexylanilino)propanamide IUPAC Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-3-(N-hexylanilino)propanamide Traditional Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-3-(N-hexylanilino)propionamide Formula: C25H39N5OS MolecularWeight: 457.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C25H39N5OS/c1-6-9-10-14-18-30(21-15-12-11-13-16-21)19-17-22(31)28-23-24(29(7-2)8-3)26-20(4)27-25(23)32-5/h11-13,15-16H,6-10,14,17-19H2,1-5H3,(H,28,31)