1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methyl-phenyl)methyl]-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione

Systemtic Name: 1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methyl-phenyl)methyl]-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-(4-methoxy-3-methyl-benzyl)xanthine Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)C)NC4CCCC4O)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)C)NC4CCCC4O)N(C1=O)CCO

InChI

InChI=1S/C23H31N5O5/c1-4-26-21(31)19-20(27(10-11-29)23(26)32)25-22(24-16-6-5-7-17(16)30)28(19)13-15-8-9-18(33-3)14(2)12-15/h8-9,12,16-17,29-30H,4-7,10-11,13H2,1-3H3,(H,24,25)