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

Systemtic Name: 3-(2-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(2-oxolanylmethyl)purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-(2-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=CC=C4Cl)CC5CCCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)CC5CCCO5

InChI

InChI=1S/C24H23ClN4O4/c1-32-17-10-8-16(9-11-17)13-27-15-26-22-21(27)23(30)28(14-18-5-4-12-33-18)24(31)29(22)20-7-3-2-6-19(20)25/h2-3,6-11,15,18H,4-5,12-14H2,1H3