2-(2-pentadecylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-(2-pentadecylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-(2-pentadecylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-(pentadecylthio)phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-(2-pentadecylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-(pentadecylthio)phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C25H42N2S MolecularWeight: 402.67938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=CC=CC=C1C2=NCCCN2

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=CC=CC=C1C2=NCCCN2

InChI

InChI=1S/C25H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-28-24-19-15-14-18-23(24)25-26-20-17-21-27-25/h14-15,18-19H,2-13,16-17,20-22H2,1H3,(H,26,27)