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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-(2-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C17H19Cl2N5O3 MolecularWeight: 412.27046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CNC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H19Cl2N5O3/c1-9(25)7-20-16-21-14-13(15(26)23(3)17(27)22(14)2)24(16)8-10-4-5-11(18)6-12(10)19/h4-6,9,25H,7-8H2,1-3H3,(H,20,21)