8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione IUPAC Name: 8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-butyrylphenoxy)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C24H22Cl2N4O4 MolecularWeight: 501.36188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H22Cl2N4O4/c1-4-5-19(31)15-7-9-16(10-8-15)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-14-6-11-17(25)18(26)12-14/h6-12H,4-5,13H2,1-3H3