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

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

Systemtic Name:7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione
Openeye Name:7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione
CAS Name:7-[(2-chlorophenyl)methyl]-3-methyl-8-(methylthio)purine-2,6-dione
IUPAC Name:7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Traditional Name:7-(2-chlorobenzyl)-3-methyl-8-(methylthio)xanthine
Formula: C14H13ClN4O2S
MolecularWeight: 336.79662
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=CC=C3Cl


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=CC=C3Cl


InChI

InChI=1S/C14H13ClN4O2S/c1-18-11-10(12(20)17-13(18)21)19(14(16-11)22-2)7-8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,17,20,21)


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