1-ethyl-8-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-9-(phenylmethyl)purin-6-one

Systemtic Name: 1-ethyl-8-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-9-(phenylmethyl)purin-6-one Openeye Name: 9-benzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methyl-purin-6-one CAS Name: 1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methyl-9-(phenylmethyl)-6-purinone IUPAC Name: 9-benzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methylpurin-6-one Traditional Name: 9-benzyl-1-ethyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-methyl-purin-6-one Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1NC3CCCC3O)N(C(=N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1N[C@@H]3CCC[C@H]3O)N(C(=N2)C)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-3-24-19(27)17-18(23-20(24)22-15-10-7-11-16(15)26)25(13(2)21-17)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,26H,3,7,10-12H2,1-2H3,(H,22,23)/t15-,16-/m1/s1