1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-prop-2-ynyl-3,7-dihydropurine-2,6-dione CAS Name: 1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-propargyl-7H-xanthine Formula: C8H6N4O2 MolecularWeight: 190.15884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h1,4H,3H2,(H,9,10)(H,11,14)