3-cyclohexa-1,5-dien-1-yl-2-octylsulfanyl-4H-pyrimidine

Systemtic Name: 3-cyclohexa-1,5-dien-1-yl-2-octylsulfanyl-4H-pyrimidine Openeye Name: 3-cyclohexa-1,5-dien-1-yl-2-octylsulfanyl-4H-pyrimidine CAS Name: 3-(1-cyclohexa-1,5-dienyl)-2-(octylthio)-4H-pyrimidine IUPAC Name: 3-cyclohexa-1,5-dien-1-yl-2-octylsulfanyl-4H-pyrimidine Traditional Name: 3-cyclohexa-1,5-dien-1-yl-2-(octylthio)-4H-pyrimidine Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=CCN1C2=CCCC=C2

Isomeric SMILES

CCCCCCCCSC1=NC=CCN1C2=CCCC=C2

InChI

InChI=1S/C18H28N2S/c1-2-3-4-5-6-10-16-21-18-19-14-11-15-20(18)17-12-8-7-9-13-17/h8,11-14H,2-7,9-10,15-16H2,1H3