7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(tetrahydrofuran-2-ylmethylamino)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-oxolanylmethylamino)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(tetrahydrofurfurylamino)xanthine Formula: C19H22BrN5O3 MolecularWeight: 448.31368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H22BrN5O3/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-5-3-6-13(20)9-12)18(22-16)21-10-14-7-4-8-28-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3,(H,21,22)