7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-(phenylmethyl)purin-6-one

Systemtic Name: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-(phenylmethyl)purin-6-one Openeye Name: 3-benzyl-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-(phenylmethyl)-6-purinone IUPAC Name: 3-benzyl-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 3-benzyl-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=O)C3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=O)C3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H18N4O5/c22-7-11-13(23)14(24)17(26-11)21-9-18-15-12(21)16(25)19-8-20(15)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2