7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H26ClN5O4/c1-24-18-17(19(29)25(2)21(24)30)27(20(23-18)26-10-4-3-5-11-26)12-15(28)13-31-16-8-6-14(22)7-9-16/h6-9,15,28H,3-5,10-13H2,1-2H3