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

Systemtic Name: 8-(cyclohexylmethyl)-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-(cyclohexylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one CAS Name: 8-(cyclohexylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-(cyclohexylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-(cyclohexylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCCC4)N=C1NC5CCCC5O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCCC4)N=C1N[C@@H]5CCC[C@H]5O

InChI

InChI=1S/C25H33N5O2/c1-29-24(32)22-23(28-25(29)26-19-13-8-14-20(19)31)27-21(15-17-9-4-2-5-10-17)30(22)16-18-11-6-3-7-12-18/h3,6-7,11-12,17,19-20,31H,2,4-5,8-10,13-16H2,1H3,(H,26,28)/t19-,20-/m1/s1