1,3,7-tris(prop-1-ynyl)purine-2,6-dione

Systemtic Name: 1,3,7-tris(prop-1-ynyl)purine-2,6-dione Openeye Name: 1,3,7-tris(prop-1-ynyl)purine-2,6-dione CAS Name: 1,3,7-tris(prop-1-ynyl)purine-2,6-dione IUPAC Name: 1,3,7-tris(prop-1-ynyl)purine-2,6-dione Traditional Name: 1,3,7-tris(prop-1-ynyl)xanthine Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C=NC2=C1C(=O)N(C(=O)N2C#CC)C#CC

Isomeric SMILES

CC#CN1C=NC2=C1C(=O)N(C(=O)N2C#CC)C#CC

InChI

InChI=1S/C14H10N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h10H,1-3H3