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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#C

InChI

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