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

Systemtic Name: 8-hexyl-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one CAS Name: 8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCC4O)C

Isomeric SMILES

CCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)N[C@@H]4CCC[C@H]4O)C

InChI

InChI=1S/C24H33N5O2/c1-3-4-5-9-15-20-26-22-21(29(20)16-17-11-7-6-8-12-17)23(31)28(2)24(27-22)25-18-13-10-14-19(18)30/h6-8,11-12,18-19,30H,3-5,9-10,13-16H2,1-2H3,(H,25,27)/t18-,19-/m1/s1