8-(2-dimethylaminoethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C21H30N6O5 MolecularWeight: 446.5001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H30N6O5/c1-24(2)11-10-22-20-23-18-17(19(29)26(4)21(30)25(18)3)27(20)12-14(28)13-32-16-8-6-15(31-5)7-9-16/h6-9,14,28H,10-13H2,1-5H3,(H,22,23)