3,7-dimethyl-1-(5-oxidanylhexyl)-8-[(3,4,5-trimethoxyphenyl)methylamino]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylhexyl)-8-[(3,4,5-trimethoxyphenyl)methylamino]purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-[(3,4,5-trimethoxyphenyl)methylamino]purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-[(3,4,5-trimethoxyphenyl)methylamino]purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-[(3,4,5-trimethoxyphenyl)methylamino]purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-[(3,4,5-trimethoxybenzyl)amino]xanthine Formula: C23H33N5O6 MolecularWeight: 475.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC(=C(C(=C3)OC)OC)OC)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC(=C(C(=C3)OC)OC)OC)N(C1=O)C)O

InChI

InChI=1S/C23H33N5O6/c1-14(29)9-7-8-10-28-21(30)18-20(27(3)23(28)31)25-22(26(18)2)24-13-15-11-16(32-4)19(34-6)17(12-15)33-5/h11-12,14,29H,7-10,13H2,1-6H3,(H,24,25)