3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)Cl)CC5CCCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)Cl)CC5CCCO5

InChI

InChI=1S/C24H23ClN4O4/c1-32-19-10-4-16(5-11-19)13-27-15-26-22-21(27)23(30)28(14-20-3-2-12-33-20)24(31)29(22)18-8-6-17(25)7-9-18/h4-11,15,20H,2-3,12-14H2,1H3