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

Systemtic Name: 8-(diethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H27N5O5/c1-5-24(6-2)19-21-17-16(18(27)22-20(28)23(17)3)25(19)11-13(26)12-30-15-9-7-14(29-4)8-10-15/h7-10,13,26H,5-6,11-12H2,1-4H3,(H,22,27,28)