8-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-7-methyl-purine-2,6-dione CAS Name: 8-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-7-methyl-xanthine Formula: C23H16ClN5O5 MolecularWeight: 477.85664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H16ClN5O5/c1-27-19-21(28(23(31)26-22(19)30)12-13-5-3-2-4-6-13)25-20(27)18-10-9-17(34-18)15-8-7-14(29(32)33)11-16(15)24/h2-11H,12H2,1H3,(H,26,30,31)