N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexan-2-yl]aniline

Systemtic Name: N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexan-2-yl]aniline Openeye Name: N-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-methyl-pentyl]aniline CAS Name: N-[6-[(4,6-dimethyl-2-pyrimidinyl)thio]hexan-2-yl]aniline IUPAC Name: N-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexan-2-yl]aniline Traditional Name: [5-[(4,6-dimethylpyrimidin-2-yl)thio]-1-methyl-pentyl]-phenyl-amine Formula: C18H25N3S MolecularWeight: 315.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCCC(C)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCCC(C)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H25N3S/c1-14(19-17-10-5-4-6-11-17)9-7-8-12-22-18-20-15(2)13-16(3)21-18/h4-6,10-11,13-14,19H,7-9,12H2,1-3H3