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

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

Systemtic Name:3-methyl-7-octyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Openeye Name:3-methyl-7-octyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
CAS Name:3-methyl-7-octyl-8-(3-phenylpropylthio)purine-2,6-dione
IUPAC Name:3-methyl-7-octyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Traditional Name:3-methyl-7-octyl-8-(3-phenylpropylthio)xanthine
Formula: C23H32N4O2S
MolecularWeight: 428.59078
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C23H32N4O2S/c1-3-4-5-6-7-11-16-27-19-20(26(2)22(29)25-21(19)28)24-23(27)30-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3,(H,25,28,29)


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