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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

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