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

Systemtic Name: 8-(3-bromanyl-4-methoxy-phenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-bromo-4-methoxy-phenyl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(3-bromo-4-methoxyphenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-bromo-4-methoxyphenyl)-3-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(3-bromo-4-methoxy-phenyl)-3-(2-methoxyethyl)xanthine Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O4/c1-30-11-10-26-20-18(21(28)25-22(26)29)27(13-14-6-4-3-5-7-14)19(24-20)15-8-9-17(31-2)16(23)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,25,28,29)