1-ethynyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-ethynyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethynyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione CAS Name: 1-ethynyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethynyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethynyl-8-(1H-pyrazol-4-yl)-7H-xanthine Formula: C10H6N6O2 MolecularWeight: 242.19364

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNN=C3

Isomeric SMILES

C#CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNN=C3

InChI

InChI=1S/C10H6N6O2/c1-2-16-9(17)6-8(15-10(16)18)14-7(13-6)5-3-11-12-4-5/h1,3-4H,(H,11,12)(H,13,14)(H,15,18)