8-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-bromo-5-ethoxy-4-methoxy-phenyl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(3-bromo-5-ethoxy-4-methoxy-phenyl)-3-(2-methoxyethyl)xanthine Formula: C24H25BrN4O5 MolecularWeight: 529.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC)Br)OC

InChI

InChI=1S/C24H25BrN4O5/c1-4-34-18-13-16(12-17(25)20(18)33-3)21-26-22-19(29(21)14-15-8-6-5-7-9-15)23(30)27-24(31)28(22)10-11-32-2/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,27,30,31)