8-bromanyl-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-dione hydrate

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-dione hydrate Openeye Name: 8-bromo-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-dione hydrate CAS Name: 8-bromo-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-dione hydrate IUPAC Name: 8-bromo-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-dione hydrate Traditional Name: 8-bromo-1,3-dimethyl-7-phenacyl-4,5-dihydropurine-2,6-quinone hydrate Formula: C15H17BrN4O4 MolecularWeight: 397.22388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CC=C3.O

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CC=C3.O

InChI

InChI=1S/C15H15BrN4O3.H2O/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)8-10(21)9-6-4-3-5-7-9;/h3-7,11-12H,8H2,1-2H3;1H2