1-ethyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-8,9-bis(phenylmethyl)purin-6-one

Systemtic Name: 1-ethyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-8,9-bis(phenylmethyl)purin-6-one Openeye Name: 8,9-dibenzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-6-one CAS Name: 1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8,9-bis(phenylmethyl)-6-purinone IUPAC Name: 8,9-dibenzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-6-one Traditional Name: 8,9-dibenzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-6-one Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1NC3CCCC3O)N(C(=N2)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1N[C@@H]3CCC[C@H]3O)N(C(=N2)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-2-30-25(33)23-24(29-26(30)27-20-14-9-15-21(20)32)31(17-19-12-7-4-8-13-19)22(28-23)16-18-10-5-3-6-11-18/h3-8,10-13,20-21,32H,2,9,14-17H2,1H3,(H,27,29)/t20-,21-/m1/s1