1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(4-bromobenzyl)-7-(2-methoxyethyl)xanthine Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O3/c1-30-12-11-25-15-24-20-19(25)21(28)27(14-17-7-9-18(23)10-8-17)22(29)26(20)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3