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1-ethyl-3,7-dihydropurine-2,6-dione

1-ethyl-3,7-dihydropurine-2,6-dione

Systemtic Name:1-ethyl-3,7-dihydropurine-2,6-dione
Openeye Name:1-ethyl-3,7-dihydropurine-2,6-dione
CAS Name:1-ethyl-3,7-dihydropurine-2,6-dione
IUPAC Name:1-ethyl-3,7-dihydropurine-2,6-dione
Traditional Name:1-ethyl-7H-xanthine
Formula: C14H16N8O4
MolecularWeight: 360.32804
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=CN2.CCN1C(=O)C2=C(NC1=O)N=CN2


Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=CN2.CCN1C(=O)C2=C(NC1=O)N=CN2


InChI

InChI=1S/2C7H8N4O2/c2*1-2-11-6(12)4-5(9-3-8-4)10-7(11)13/h2*3H,2H2,1H3,(H,8,9)(H,10,13)


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