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

Systemtic Name: 7-[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(9H-fluoren-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(9H-fluoren-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(9H-fluoren-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(9H-fluoren-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-24-20-19(21(28)25(2)22(24)29)26(12-23-20)11-18(27)15-8-7-14-9-13-5-3-4-6-16(13)17(14)10-15/h3-8,10,12H,9,11H2,1-2H3