8-chloranyl-7-[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(9H-fluoren-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(9H-fluoren-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(9H-fluoren-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(9H-fluoren-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC4=C(CC5=CC=CC=C54)C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC4=C(CC5=CC=CC=C54)C=C3

InChI

InChI=1S/C22H17ClN4O3/c1-25-19-18(20(29)26(2)22(25)30)27(21(23)24-19)11-17(28)14-8-7-13-9-12-5-3-4-6-15(12)16(13)10-14/h3-8,10H,9,11H2,1-2H3