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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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