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

Systemtic Name: 8-(cyclopentylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C19H21Cl2N5O2 MolecularWeight: 422.30834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H21Cl2N5O2/c1-24-16-15(17(27)25(2)19(24)28)26(10-11-7-8-12(20)9-14(11)21)18(23-16)22-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,22,23)