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

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-5-[hexyl(phenyl)amino]pentanamide Openeye Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-5-(N-hexylanilino)pentanamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-5-(N-hexylanilino)pentanamide IUPAC Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-5-(N-hexylanilino)pentanamide Traditional Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-5-(N-hexylanilino)valeramide Formula: C27H43N5OS MolecularWeight: 485.72822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5OS/c1-6-9-10-15-20-32(23-17-12-11-13-18-23)21-16-14-19-24(33)30-25-26(31(7-2)8-3)28-22(4)29-27(25)34-5/h11-13,17-18H,6-10,14-16,19-21H2,1-5H3,(H,30,33)