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

Systemtic Name: 1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-8-(phenylmethyl)-7H-purin-6-one Openeye Name: 8-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(phenylmethyl)-7H-purin-6-one IUPAC Name: 8-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one Traditional Name: 8-benzyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N=C1NC4CCCC4O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N=C1N[C@@H]4CCC[C@H]4O

InChI

InChI=1S/C18H21N5O2/c1-23-17(25)15-16(22-18(23)19-12-8-5-9-13(12)24)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,24H,5,8-10H2,1H3,(H,19,22)(H,20,21)/t12-,13-/m1/s1