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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CCOC

InChI

InChI=1S/C22H23BrN4O4/c1-3-4-11-27-20-18(21(28)25-22(27)29)26(12-13-30-2)19(24-20)17-10-9-16(31-17)14-7-5-6-8-15(14)23/h5-10H,3-4,11-13H2,1-2H3,(H,25,28,29)