7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-indan-5-yl-2-oxo-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-indan-5-yl-2-keto-ethyl)-1,3-dimethyl-xanthine Formula: C18H18N4O3 MolecularWeight: 338.36052

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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(CCC4)C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C18H18N4O3/c1-20-16-15(17(24)21(2)18(20)25)22(10-19-16)9-14(23)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3