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

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2C[C@H](COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H32N6O5/c1-5-27-10-12-28(13-11-27)22-24-20-19(21(31)26(3)23(32)25(20)2)29(22)14-16(30)15-34-18-8-6-17(33-4)7-9-18/h6-9,16,30H,5,10-15H2,1-4H3/t16-/m1/s1