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

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H28N6O5/c1-24(2)10-9-21-19-22-17-16(18(28)23-20(29)25(17)3)26(19)11-13(27)12-31-15-7-5-14(30-4)6-8-15/h5-8,13,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)