8-bromanyl-3-methyl-7-(3-oxidanylidene-3-phenyl-propyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-oxidanylidene-3-phenyl-propyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(3-oxo-3-phenyl-propyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(3-oxo-3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(3-oxo-3-phenylpropyl)purine-2,6-dione Traditional Name: 8-bromo-7-(3-keto-3-phenyl-propyl)-3-methyl-xanthine Formula: C15H13BrN4O3 MolecularWeight: 377.19272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13BrN4O3/c1-19-12-11(13(22)18-15(19)23)20(14(16)17-12)8-7-10(21)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,22,23)