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

Systemtic Name: 8-bromanyl-7-but-2-ynyl-3-phenyl-purine-2,6-dione Openeye Name: 8-bromo-7-but-2-ynyl-3-phenyl-purine-2,6-dione CAS Name: 8-bromo-7-but-2-ynyl-3-phenylpurine-2,6-dione IUPAC Name: 8-bromo-7-but-2-ynyl-3-phenylpurine-2,6-dione Traditional Name: 8-bromo-7-but-2-ynyl-3-phenyl-xanthine Formula: C15H11BrN4O2 MolecularWeight: 359.17744

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H11BrN4O2/c1-2-3-9-19-11-12(17-14(19)16)20(15(22)18-13(11)21)10-7-5-4-6-8-10/h4-8H,9H2,1H3,(H,18,21,22)