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

Systemtic Name: 3-(2,4-dichlorophenyl)-1-methyl-7-pentyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-1-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-1-methyl-7-pentylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-1-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-(2,4-dichlorophenyl)-1-methyl-xanthine Formula: C17H18Cl2N4O2 MolecularWeight: 381.25642

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N4O2/c1-3-4-5-8-22-10-20-15-14(22)16(24)21(2)17(25)23(15)13-7-6-11(18)9-12(13)19/h6-7,9-10H,3-5,8H2,1-2H3