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7-ethynyl-1,3-dimethyl-purine-2,6-dione

7-ethynyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name:7-ethynyl-1,3-dimethyl-purine-2,6-dione
Openeye Name:7-ethynyl-1,3-dimethyl-purine-2,6-dione
CAS Name:7-ethynyl-1,3-dimethylpurine-2,6-dione
IUPAC Name:7-ethynyl-1,3-dimethylpurine-2,6-dione
Traditional Name:7-ethynyl-1,3-dimethyl-xanthine
Formula: C9H8N4O2
MolecularWeight: 204.18542
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C#C


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C#C


InChI

InChI=1S/C9H8N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h1,5H,2-3H3


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