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5,5-bis(2-octylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione

5,5-bis(2-octylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione

Systemtic Name:5,5-bis(2-octylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
Openeye Name:5,5-bis(2-octylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
CAS Name:5,5-bis[2-(octylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione
IUPAC Name:5,5-bis(2-octylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
Traditional Name:5,5-bis[2-(octylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone
Formula: C30H48N2O2S2
MolecularWeight: 532.84432
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCCC


Isomeric SMILES

CCCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCCC


InChI

InChI=1S/C30H48N2O2S2/c1-3-5-7-9-11-16-22-35-24-20-30(21-25-36-23-17-12-10-8-6-4-2)28(33)31-27(32-29(30)34)26-18-14-13-15-19-26/h13-15,18-19H,3-12,16-17,20-25H2,1-2H3,(H,31,32,33,34)


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