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

Systemtic Name: 8-(cyclopentylmethyl)-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-(cyclopentylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one CAS Name: 8-(cyclopentylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-(cyclopentylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-(cyclopentylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one Formula: C24H31N5O2 MolecularWeight: 421.53524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCC4)N=C1NC5CCCC5O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCC4)N=C1N[C@@H]5CCC[C@H]5O

InChI

InChI=1S/C24H31N5O2/c1-28-23(31)21-22(27-24(28)25-18-12-7-13-19(18)30)26-20(14-16-8-5-6-9-16)29(21)15-17-10-3-2-4-11-17/h2-4,10-11,16,18-19,30H,5-9,12-15H2,1H3,(H,25,27)/t18-,19-/m1/s1