7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C19H20BrN5O4 MolecularWeight: 462.2972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN5O4/c1-22-16-15(17(27)23(2)19(22)28)25(18(21-16)24-7-9-29-10-8-24)11-14(26)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3