3-(2-chlorophenyl)-7-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(oxolan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-7-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(oxolan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-7-(3,3-dimethyl-2-oxo-butyl)-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(2-oxolanylmethyl)purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-7-(2-keto-3,3-dimethyl-butyl)-1-(tetrahydrofurfuryl)xanthine Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3Cl)CC4CCCO4

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3Cl)CC4CCCO4

InChI

InChI=1S/C22H25ClN4O4/c1-22(2,3)17(28)12-25-13-24-19-18(25)20(29)26(11-14-7-6-10-31-14)21(30)27(19)16-9-5-4-8-15(16)23/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3