8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(homoveratrylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C22H31N5O6/c1-13(2)33-12-15(28)11-27-18-19(26(3)22(30)25-20(18)29)24-21(27)23-9-8-14-6-7-16(31-4)17(10-14)32-5/h6-7,10,13,15,28H,8-9,11-12H2,1-5H3,(H,23,24)(H,25,29,30)