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

Systemtic Name: 7-but-3-ynyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-but-3-ynyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-but-3-ynyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-but-3-ynyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-but-3-ynyl-1,3-dimethyl-xanthine Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h1,7H,5-6H2,2-3H3