7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(cyclohexylamino)-3-methyl-xanthine Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H26ClN5O4/c1-26-18-17(19(29)25-21(26)30)27(20(24-18)23-14-5-3-2-4-6-14)11-15(28)12-31-16-9-7-13(22)8-10-16/h7-10,14-15,28H,2-6,11-12H2,1H3,(H,23,24)(H,25,29,30)