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7-dodecyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

7-dodecyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name:7-dodecyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Openeye Name:7-dodecyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
CAS Name:7-dodecyl-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione
IUPAC Name:7-dodecyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Traditional Name:7-lauryl-3-methyl-8-(3-phenylpropylthio)xanthine
Formula: C27H40N4O2S
MolecularWeight: 484.6971
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

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


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