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7-[(4-chlorophenyl)methyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione

7-[(4-chlorophenyl)methyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name:7-[(4-chlorophenyl)methyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione
Openeye Name:7-[(4-chlorophenyl)methyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione
CAS Name:7-[(4-chlorophenyl)methyl]-3-methyl-8-(nonylthio)purine-2,6-dione
IUPAC Name:7-[(4-chlorophenyl)methyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione
Traditional Name:7-(4-chlorobenzyl)-3-methyl-8-(nonylthio)xanthine
Formula: C22H29ClN4O2S
MolecularWeight: 449.00926
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C


InChI

InChI=1S/C22H29ClN4O2S/c1-3-4-5-6-7-8-9-14-30-22-24-19-18(20(28)25-21(29)26(19)2)27(22)15-16-10-12-17(23)13-11-16/h10-13H,3-9,14-15H2,1-2H3,(H,25,28,29)


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