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

Systemtic Name: 7-[(3-chloranyl-4-methoxy-phenyl)methyl]-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione Openeye Name: 7-[(3-chloro-4-methoxy-phenyl)methyl]-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione CAS Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclopentylamino)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclopentylamino)-1,3-diethylpurine-2,6-dione Traditional Name: 7-(3-chloro-4-methoxy-benzyl)-8-(cyclopentylamino)-1,3-diethyl-xanthine Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5O3/c1-4-26-19-18(20(29)27(5-2)22(26)30)28(21(25-19)24-15-8-6-7-9-15)13-14-10-11-17(31-3)16(23)12-14/h10-12,15H,4-9,13H2,1-3H3,(H,24,25)