1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione

Systemtic Name: 1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-7-[(4-hydroxyphenyl)methyl]-3-isobutyl-purine-2,6-dione CAS Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-ethyl-7-(4-hydroxybenzyl)-8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-xanthine Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-4-26-21(31)19-20(28(23(26)32)12-14(2)3)25-22(24-17-6-5-7-18(17)30)27(19)13-15-8-10-16(29)11-9-15/h8-11,14,17-18,29-30H,4-7,12-13H2,1-3H3,(H,24,25)