3-(2,4-dichlorophenyl)-7-heptan-4-yl-8-methoxy-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-7-heptan-4-yl-8-methoxy-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-methoxy-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-7-heptan-4-yl-8-methoxy-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-7-heptan-4-yl-8-methoxy-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-methoxy-1-methyl-7-(1-propylbutyl)xanthine Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC(CCC)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H24Cl2N4O3/c1-5-7-13(8-6-2)25-16-17(23-19(25)29-4)26(20(28)24(3)18(16)27)15-10-9-12(21)11-14(15)22/h9-11,13H,5-8H2,1-4H3