3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-(4-chlorophenyl)-7-(2-phenoxyethyl)-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-1-(2-oxolanylmethyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-(4-chlorophenyl)-7-(2-phenoxyethyl)-1-(tetrahydrofurfuryl)xanthine Formula: C24H23ClN4O4 MolecularWeight: 466.91682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(N=CN3CCOC4=CC=CC=C4)N(C2=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(N=CN3CCOC4=CC=CC=C4)N(C2=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H23ClN4O4/c25-17-8-10-18(11-9-17)29-22-21(23(30)28(24(29)31)15-20-7-4-13-32-20)27(16-26-22)12-14-33-19-5-2-1-3-6-19/h1-3,5-6,8-11,16,20H,4,7,12-15H2