1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-7-(2-methoxyethyl)-8-methyl-3-propyl-xanthine Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)C)CCOC

InChI

InChI=1S/C19H23BrN4O3/c1-4-9-23-17-16(22(10-11-27-3)13(2)21-17)18(25)24(19(23)26)12-14-5-7-15(20)8-6-14/h5-8H,4,9-12H2,1-3H3