1,3,7-trimethyl-8-(3-oxidanylprop-1-ynyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(3-oxidanylprop-1-ynyl)purine-2,6-dione Openeye Name: 8-(3-hydroxyprop-1-ynyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxyprop-1-ynyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3-hydroxyprop-1-ynyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-hydroxyprop-1-ynyl)-1,3,7-trimethyl-xanthine Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3/c1-13-7(5-4-6-16)12-9-8(13)10(17)15(3)11(18)14(9)2/h16H,6H2,1-3H3