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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)CC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)CC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

InChI

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