8-bromanyl-7-but-2-ynyl-3-cyclopropyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-but-2-ynyl-3-cyclopropyl-purine-2,6-dione Openeye Name: 8-bromo-7-but-2-ynyl-3-cyclopropyl-purine-2,6-dione CAS Name: 8-bromo-7-but-2-ynyl-3-cyclopropylpurine-2,6-dione IUPAC Name: 8-bromo-7-but-2-ynyl-3-cyclopropylpurine-2,6-dione Traditional Name: 8-bromo-7-but-2-ynyl-3-cyclopropyl-xanthine Formula: C12H11BrN4O2 MolecularWeight: 323.14534

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C3CC3

Isomeric SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C3CC3

InChI

InChI=1S/C12H11BrN4O2/c1-2-3-6-16-8-9(14-11(16)13)17(7-4-5-7)12(19)15-10(8)18/h7H,4-6H2,1H3,(H,15,18,19)