9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(phenylmethyl)purine-6-thione

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(phenylmethyl)purine-6-thione Openeye Name: 1-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-6-thione CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(phenylmethyl)-6-purinethione IUPAC Name: 1-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-thione Traditional Name: 1-benzyl-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purine-6-thione Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=S)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=S)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H18N4O4S/c22-7-11-13(23)14(24)16(25-11)21-9-18-12-15(21)19-8-20(17(12)26)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,16,22-24H,6-7H2