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

Systemtic Name: 8-[5-(2-bromophenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[5-(2-bromophenyl)-2-furyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 8-[5-(2-bromophenyl)-2-furanyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[5-(2-bromophenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[5-(2-bromophenyl)-2-furyl]-3,7-diisobutyl-xanthine Formula: C23H25BrN4O3 MolecularWeight: 485.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=C(O3)C4=CC=CC=C4Br)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=C(O3)C4=CC=CC=C4Br)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C23H25BrN4O3/c1-13(2)11-27-19-21(28(12-14(3)4)23(30)26-22(19)29)25-20(27)18-10-9-17(31-18)15-7-5-6-8-16(15)24/h5-10,13-14H,11-12H2,1-4H3,(H,26,29,30)