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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C16H17Cl2N5O3 MolecularWeight: 398.24388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5O3/c1-21-13-12(14(25)22(2)16(21)26)23(15(20-13)19-5-6-24)8-9-3-4-10(17)11(18)7-9/h3-4,7,24H,5-6,8H2,1-2H3,(H,19,20)