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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-[(1-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-1-ethyl-8-[(1-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(1-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(1-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-1-ethyl-8-[(1-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)xanthine Formula: C22H28BrN5O5 MolecularWeight: 522.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4(CCCC4)O)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4(CCCC4)O)N(C1=O)CCO

InChI

InChI=1S/C22H28BrN5O5/c1-3-26-19(30)17-18(27(10-11-29)21(26)31)24-20(25-22(32)8-4-5-9-22)28(17)13-14-6-7-16(33-2)15(23)12-14/h6-7,12,29,32H,3-5,8-11,13H2,1-2H3,(H,24,25)