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

Systemtic Name: 8-(butylamino)-7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C20H26ClN5O4 MolecularWeight: 435.90454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26ClN5O4/c1-4-5-10-22-19-23-17-16(18(28)25(3)20(29)24(17)2)26(19)11-13(27)12-30-15-9-7-6-8-14(15)21/h6-9,13,27H,4-5,10-12H2,1-3H3,(H,22,23)