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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl)O

InChI

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