7-[(3-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-8-(3-ethoxypropylamino)-1,3-dimethyl-xanthine Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24ClN5O3/c1-4-28-10-6-9-21-18-22-16-15(17(26)24(3)19(27)23(16)2)25(18)12-13-7-5-8-14(20)11-13/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H,21,22)