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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(phenethylamino)xanthine Formula: C22H21Cl2N5O2 MolecularWeight: 458.34044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H21Cl2N5O2/c1-27-18-19(26-21(27)25-11-10-14-6-4-3-5-7-14)28(2)22(31)29(20(18)30)13-15-8-9-16(23)17(24)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)