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

Systemtic Name: 8-(cyclopropylmethyl)-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-(cyclopropylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one CAS Name: 8-(cyclopropylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-(cyclopropylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-(cyclopropylmethyl)-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-purin-6-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CC4)N=C1NC5CCCC5O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CC4)N=C1N[C@@H]5CCC[C@H]5O

InChI

InChI=1S/C22H27N5O2/c1-26-21(29)19-20(25-22(26)23-16-8-5-9-17(16)28)24-18(12-14-10-11-14)27(19)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,28H,5,8-13H2,1H3,(H,23,25)/t16-,17-/m1/s1