7-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione

Systemtic Name: 7-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione Openeye Name: 7-[(3-chloro-4-hydroxy-phenyl)methyl]-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione CAS Name: 7-[(3-chloro-4-hydroxyphenyl)methyl]-8-(cyclopentylamino)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-[(3-chloro-4-hydroxyphenyl)methyl]-8-(cyclopentylamino)-1,3-diethylpurine-2,6-dione Traditional Name: 7-(3-chloro-4-hydroxy-benzyl)-8-(cyclopentylamino)-1,3-diethyl-xanthine Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C21H26ClN5O3/c1-3-25-18-17(19(29)26(4-2)21(25)30)27(12-13-9-10-16(28)15(22)11-13)20(24-18)23-14-7-5-6-8-14/h9-11,14,28H,3-8,12H2,1-2H3,(H,23,24)