N-[4-(dihexylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide

Systemtic Name: N-[4-(dihexylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide Openeye Name: N-[4-(dihexylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-(N-propylanilino)butanamide CAS Name: N-[4-(dihexylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-(N-propylanilino)butanamide IUPAC Name: N-[4-(dihexylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-4-(N-propylanilino)butanamide Traditional Name: N-[4-(dihexylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-4-(N-propylanilino)butyramide Formula: C31H51N5OS MolecularWeight: 541.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCCN(CCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCCCCC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCCN(CCC)C2=CC=CC=C2

InChI

InChI=1S/C31H51N5OS/c1-6-9-11-16-23-36(24-17-12-10-7-2)30-29(31(38-5)33-26(4)32-30)34-28(37)21-18-25-35(22-8-3)27-19-14-13-15-20-27/h13-15,19-20H,6-12,16-18,21-25H2,1-5H3,(H,34,37)