8-[[2,5-bis(chloranyl)phenoxy]methyl]-3-butyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[[2,5-bis(chloranyl)phenoxy]methyl]-3-butyl-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2,5-dichlorophenoxy)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2,5-dichlorophenoxy)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2,5-dichlorophenoxy)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2,5-dichlorophenoxy)methyl]-7-propyl-xanthine Formula: C19H22Cl2N4O3 MolecularWeight: 425.30898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=CC(=C3)Cl)Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=CC(=C3)Cl)Cl)CCC

InChI

InChI=1S/C19H22Cl2N4O3/c1-3-5-9-25-17-16(18(26)23-19(25)27)24(8-4-2)15(22-17)11-28-14-10-12(20)6-7-13(14)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26,27)