7-but-2-ynyl-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-but-2-ynyl-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-but-2-ynyl-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-8-chloro-1,3-dimethyl-xanthine Formula: C11H11ClN4O2 MolecularWeight: 266.68364

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H11ClN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h6H2,1-3H3