7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-piperidino-xanthine Formula: C20H23Cl2N5O4 MolecularWeight: 468.33372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C20H23Cl2N5O4/c1-25-17-16(18(29)24-20(25)30)27(19(23-17)26-7-3-2-4-8-26)10-13(28)11-31-15-6-5-12(21)9-14(15)22/h5-6,9,13,28H,2-4,7-8,10-11H2,1H3,(H,24,29,30)