3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C19H22Cl2N4O2 MolecularWeight: 409.30958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C)CC

InChI

InChI=1S/C19H22Cl2N4O2/c1-4-6-7-10-24-15(5-2)22-17-16(24)18(26)23(3)19(27)25(17)14-9-8-12(20)11-13(14)21/h8-9,11H,4-7,10H2,1-3H3