1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7,8-bis(phenylmethyl)purin-6-one

Systemtic Name: 1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7,8-bis(phenylmethyl)purin-6-one Openeye Name: 7,8-dibenzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7,8-bis(phenylmethyl)-6-purinone IUPAC Name: 7,8-dibenzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpurin-6-one Traditional Name: 7,8-dibenzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4=CC=CC=C4)N=C1NC5CCCC5O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4=CC=CC=C4)N=C1N[C@@H]5CCC[C@H]5O

InChI

InChI=1S/C25H27N5O2/c1-29-24(32)22-23(28-25(29)26-19-13-8-14-20(19)31)27-21(15-17-9-4-2-5-10-17)30(22)16-18-11-6-3-7-12-18/h2-7,9-12,19-20,31H,8,13-16H2,1H3,(H,26,28)/t19-,20-/m1/s1