N-[4-(diethylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide

Systemtic Name: N-[4-(diethylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(diethylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(diethylamino)-6-(ethylthio)-2-methyl-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(diethylamino)-6-ethylsulfanyl-2-methylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(diethylamino)-6-(ethylthio)-2-methyl-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C27H43N5OS MolecularWeight: 485.72822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SCC)C)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SCC)C)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C27H43N5OS/c1-6-10-11-15-20-32(23-17-13-12-14-18-23)21-16-19-24(33)30-25-26(31(7-2)8-3)28-22(5)29-27(25)34-9-4/h12-14,17-18H,6-11,15-16,19-21H2,1-5H3,(H,30,33)