1-methyl-8-(3-methylbutyl)-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1-methyl-8-(3-methylbutyl)-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-isopentyl-1-methyl-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(3-methylbutyl)-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(3-methylbutyl)purin-6-one Traditional Name: 7-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-isoamyl-1-methyl-purin-6-one Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCC4O)C

Isomeric SMILES

CC(C)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)N[C@@H]4CCC[C@H]4O)C

InChI

InChI=1S/C23H31N5O2/c1-15(2)12-13-19-25-21-20(28(19)14-16-8-5-4-6-9-16)22(30)27(3)23(26-21)24-17-10-7-11-18(17)29/h4-6,8-9,15,17-18,29H,7,10-14H2,1-3H3,(H,24,26)/t17-,18-/m1/s1