7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-morpholino-xanthine Formula: C17H18BrN5O3 MolecularWeight: 420.26052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H18BrN5O3/c1-21-14-13(15(24)20-17(21)25)23(10-11-3-2-4-12(18)9-11)16(19-14)22-5-7-26-8-6-22/h2-4,9H,5-8,10H2,1H3,(H,20,24,25)