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

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

Systemtic Name:5,5-bis(2-heptylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
Openeye Name:5,5-bis(2-heptylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
CAS Name:5,5-bis[2-(heptylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione
IUPAC Name:5,5-bis(2-heptylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione
Traditional Name:5,5-bis[2-(heptylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone
Formula: C28H44N2O2S2
MolecularWeight: 504.79116
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCC


Isomeric SMILES

CCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCC


InChI

InChI=1S/C28H44N2O2S2/c1-3-5-7-9-14-20-33-22-18-28(19-23-34-21-15-10-8-6-4-2)26(31)29-25(30-27(28)32)24-16-12-11-13-17-24/h11-13,16-17H,3-10,14-15,18-23H2,1-2H3,(H,29,30,31,32)


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