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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-3,7-dimethyl-8-morpholino-xanthine Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C18H20BrN5O3/c1-21-14-15(20-17(21)23-7-9-27-10-8-23)22(2)18(26)24(16(14)25)11-12-3-5-13(19)6-4-12/h3-6H,7-11H2,1-2H3