8-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]purine-2,6-dione CAS Name: 8-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-8-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]xanthine Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C24H27N5O6/c1-13(2)11-27-20-22(28(12-14(3)4)24(31)26-23(20)30)25-21(27)19-9-8-18(35-19)16-7-6-15(34-5)10-17(16)29(32)33/h6-10,13-14H,11-12H2,1-5H3,(H,26,30,31)