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

Systemtic Name: 1-ethyl-3-(2-hydroxyethyl)-7-[(3-methyl-4-oxidanyl-phenyl)methyl]-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-(4-hydroxy-3-methyl-benzyl)xanthine Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O5/c1-3-25-20(31)18-19(26(9-10-28)22(25)32)24-21(23-15-5-4-6-17(15)30)27(18)12-14-7-8-16(29)13(2)11-14/h7-8,11,15,17,28-30H,3-6,9-10,12H2,1-2H3,(H,23,24)