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3,7-dihydropurine-2,6-dione

3,7-dihydropurine-2,6-dione

Systemtic Name:3,7-dihydropurine-2,6-dione
Openeye Name:3,7-dihydropurine-2,6-dione
CAS Name:3,7-dihydropurine-2,6-dione
IUPAC Name:3,7-dihydropurine-2,6-dione
Traditional Name:xanthine
Formula: C15H12N12O6
MolecularWeight: 456.33258
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(N1)C(=O)NC(=O)N2


Isomeric SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(N1)C(=O)NC(=O)N2


InChI

InChI=1S/3C5H4N4O2/c3*10-4-2-3(7-1-6-2)8-5(11)9-4/h3*1H,(H3,6,7,8,9,10,11)


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