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

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(oxolan-2-ylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-3-phenyl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-1-(2-oxolanylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-1-(oxolan-2-ylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(2-keto-3,3-dimethyl-butyl)-3-phenyl-1-(tetrahydrofurfuryl)xanthine Formula: C22H26N4O4 MolecularWeight: 410.46624

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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=C3)CC4CCCO4

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4CCCO4

InChI

InChI=1S/C22H26N4O4/c1-22(2,3)17(27)13-24-14-23-19-18(24)20(28)25(12-16-10-7-11-30-16)21(29)26(19)15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3