N-[4,6-bis(hexylsulfanyl)-2-methyl-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide

Systemtic Name: N-[4,6-bis(hexylsulfanyl)-2-methyl-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide Openeye Name: N-[4,6-bis(hexylsulfanyl)-2-methyl-pyrimidin-5-yl]-4-(N-propylanilino)butanamide CAS Name: N-[4,6-bis(hexylthio)-2-methyl-5-pyrimidinyl]-4-(N-propylanilino)butanamide IUPAC Name: N-[4,6-bis(hexylsulfanyl)-2-methylpyrimidin-5-yl]-4-(N-propylanilino)butanamide Traditional Name: N-[4,6-bis(hexylthio)-2-methyl-pyrimidin-5-yl]-4-(N-propylanilino)butyramide Formula: C30H48N4OS2 MolecularWeight: 544.85832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=NC(=N1)C)SCCCCCC)NC(=O)CCCN(CCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=C(C(=NC(=N1)C)SCCCCCC)NC(=O)CCCN(CCC)C2=CC=CC=C2

InChI

InChI=1S/C30H48N4OS2/c1-5-8-10-15-23-36-29-28(30(32-25(4)31-29)37-24-16-11-9-6-2)33-27(35)20-17-22-34(21-7-3)26-18-13-12-14-19-26/h12-14,18-19H,5-11,15-17,20-24H2,1-4H3,(H,33,35)