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

Systemtic Name: 1-ethyl-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-purine-2,6-dione CAS Name: 1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-4-26-21(30)19-20(28(23(26)31)13-15(2)3)25-22(24-17-11-8-12-18(17)29)27(19)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,29H,4,8,11-14H2,1-3H3,(H,24,25)