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8-dodecylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-dodecylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:8-dodecylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-dodecylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-(dodecylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-dodecylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-(laurylthio)-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C27H40N4O2S
MolecularWeight: 484.6971
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C27H40N4O2S/c1-3-4-5-6-7-8-9-10-11-15-21-34-27-28-24-23(25(32)29-26(33)30(24)2)31(27)20-16-19-22-17-13-12-14-18-22/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3,(H,29,32,33)


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