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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

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