8-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-9-(phenylmethyl)-1-propan-2-yl-purin-6-one

Systemtic Name: 8-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-9-(phenylmethyl)-1-propan-2-yl-purin-6-one Openeye Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-isopropyl-8-methyl-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methyl-9-(phenylmethyl)-1-propan-2-yl-6-purinone IUPAC Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methyl-1-propan-2-ylpurin-6-one Traditional Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-isopropyl-8-methyl-purin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N(C2=O)C(C)C)NC4CCCC4O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N(C2=O)C(C)C)N[C@@H]4CCC[C@H]4O

InChI

InChI=1S/C21H27N5O2/c1-13(2)26-20(28)18-19(24-21(26)23-16-10-7-11-17(16)27)25(14(3)22-18)12-15-8-5-4-6-9-15/h4-6,8-9,13,16-17,27H,7,10-12H2,1-3H3,(H,23,24)/t16-,17-/m1/s1