8-(3-bromanyl-4-methoxy-phenyl)-3-butyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-methoxy-phenyl)-3-butyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-bromo-4-methoxy-phenyl)-3-butyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-methoxyphenyl)-3-butyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-bromo-4-methoxyphenyl)-3-butylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-bromo-4-methoxy-phenyl)-3-butyl-xanthine Formula: C23H23BrN4O3 MolecularWeight: 483.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H23BrN4O3/c1-3-4-12-27-21-19(22(29)26-23(27)30)28(14-15-8-6-5-7-9-15)20(25-21)16-10-11-18(31-2)17(24)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,26,29,30)