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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-(3-ethoxypropylamino)-3,7-dimethyl-xanthine Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H23Cl2N5O3/c1-4-29-9-5-8-22-18-23-16-15(24(18)2)17(27)26(19(28)25(16)3)11-12-6-7-13(20)14(21)10-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,23)