3,7-bis(but-3-yn-2-yl)purine-2,6-dione

Systemtic Name: 3,7-bis(but-3-yn-2-yl)purine-2,6-dione Openeye Name: 3,7-bis(1-methylprop-2-ynyl)purine-2,6-dione CAS Name: 3,7-bis(but-3-yn-2-yl)purine-2,6-dione IUPAC Name: 3,7-bis(but-3-yn-2-yl)purine-2,6-dione Traditional Name: 3,7-bis(1-methylprop-2-ynyl)xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)N1C=NC2=C1C(=O)NC(=O)N2C(C)C#C

Isomeric SMILES

CC(C#C)N1C=NC2=C1C(=O)NC(=O)N2C(C)C#C

InChI

InChI=1S/C13H12N4O2/c1-5-8(3)16-7-14-11-10(16)12(18)15-13(19)17(11)9(4)6-2/h1-2,7-9H,3-4H3,(H,15,18,19)