1-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-7-butyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-7-butyl-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-propyl-xanthine Formula: C21H26Cl2N4O4 MolecularWeight: 469.36154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C21H26Cl2N4O4/c1-3-5-9-25-13-24-19-18(25)20(29)27(21(30)26(19)8-4-2)11-15(28)12-31-17-7-6-14(22)10-16(17)23/h6-7,10,13,15,28H,3-5,8-9,11-12H2,1-2H3