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

Systemtic Name: 8-chloranyl-7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-indan-5-yl-2-oxo-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-indan-5-yl-2-keto-ethyl)-1,3-dimethyl-xanthine Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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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(CCC4)C=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3/c1-21-15-14(16(25)22(2)18(21)26)23(17(19)20-15)9-13(24)12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3