8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-bromophenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C17H19BrN4O3 MolecularWeight: 407.26176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)Br)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)Br)CCOC

InChI

InChI=1S/C17H19BrN4O3/c1-3-7-22-15-13(16(23)20-17(22)24)21(8-9-25-2)14(19-15)11-5-4-6-12(18)10-11/h4-6,10H,3,7-9H2,1-2H3,(H,20,23,24)