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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

InChI

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