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3-chloranyl-1-methyl-7H-purine-2,6-dione

3-chloranyl-1-methyl-7H-purine-2,6-dione

Systemtic Name:3-chloranyl-1-methyl-7H-purine-2,6-dione
Openeye Name:3-chloro-1-methyl-7H-purine-2,6-dione
CAS Name:3-chloro-1-methyl-7H-purine-2,6-dione
IUPAC Name:3-chloro-1-methyl-7H-purine-2,6-dione
Traditional Name:3-chloro-1-methyl-7H-purine-2,6-quinone
Formula: C6H5ClN4O2
MolecularWeight: 200.5825
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2)N(C1=O)Cl


Isomeric SMILES

CN1C(=O)C2=C(N=CN2)N(C1=O)Cl


InChI

InChI=1S/C6H5ClN4O2/c1-10-5(12)3-4(9-2-8-3)11(7)6(10)13/h2H,1H3,(H,8,9)


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