1,7-dimethyl-3-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-prop-2-ynyl-purine-2,6-dione Openeye Name: 1,7-dimethyl-3-prop-2-ynyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-prop-2-ynylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-3-prop-2-ynylpurine-2,6-dione Traditional Name: 1,7-dimethyl-3-propargyl-xanthine Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC#C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC#C)C

InChI

InChI=1S/C10H10N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h1,6H,5H2,2-3H3