8-[5-(4-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[5-(4-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[5-(4-bromophenyl)-2-furyl]-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-[5-(4-bromophenyl)-2-furanyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[5-(4-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[5-(4-bromophenyl)-2-furyl]-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)Br)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)Br)CCOC

InChI

InChI=1S/C22H23BrN4O4/c1-13(2)12-27-20-18(21(28)25-22(27)29)26(10-11-30-3)19(24-20)17-9-8-16(31-17)14-4-6-15(23)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,25,28,29)