9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(phenylmethyl)purin-6-one

Systemtic Name: 9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(phenylmethyl)purin-6-one Openeye Name: 1-benzyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(phenylmethyl)-6-purinone IUPAC Name: 1-benzyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 1-benzyl-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-one Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4)CO)O

InChI

InChI=1S/C17H18N4O4/c22-8-13-12(23)6-14(25-13)21-10-18-15-16(21)19-9-20(17(15)24)7-11-4-2-1-3-5-11/h1-5,9-10,12-14,22-23H,6-8H2/t12-,13+,14+/m0/s1