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

Systemtic Name: 7-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromo-4-hydroxy-phenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-hydroxy-benzyl)-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)xanthine Formula: C21H26BrN5O5 MolecularWeight: 508.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN5O5/c1-2-25-19(31)17-18(26(8-9-28)21(25)32)24-20(23-14-4-3-5-16(14)30)27(17)11-12-6-7-15(29)13(22)10-12/h6-7,10,14,16,28-30H,2-5,8-9,11H2,1H3,(H,23,24)