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

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

Systemtic Name:7-hexyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Openeye Name:7-hexyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
CAS Name:7-hexyl-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione
IUPAC Name:7-hexyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Traditional Name:7-hexyl-3-methyl-8-(3-phenylpropylthio)xanthine
Formula: C21H28N4O2S
MolecularWeight: 400.53762
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C21H28N4O2S/c1-3-4-5-9-14-25-17-18(24(2)20(27)23-19(17)26)22-21(25)28-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3,(H,23,26,27)


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