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

Systemtic Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-7-p-anisyl-xanthine Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4/c1-5-27-22(31)20-21(29(24(27)32)13-15(2)3)26-23(25-18-7-6-8-19(18)30)28(20)14-16-9-11-17(33-4)12-10-16/h9-12,15,18-19,30H,5-8,13-14H2,1-4H3,(H,25,26)