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

Systemtic Name: 1,8-dimethyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-9-(phenylmethyl)purin-6-one Openeye Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,8-dimethyl-9-(phenylmethyl)-6-purinone IUPAC Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,8-dimethylpurin-6-one Traditional Name: 9-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,8-dimethyl-purin-6-one Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-12-20-16-17(24(12)11-13-7-4-3-5-8-13)22-19(23(2)18(16)26)21-14-9-6-10-15(14)25/h3-5,7-8,14-15,25H,6,9-11H2,1-2H3,(H,21,22)/t14-,15-/m1/s1