9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-prop-2-enylsulfanyl-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=O

Isomeric SMILES

C=CCSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=O

InChI

InChI=1S/C13H16N4O5S/c1-2-3-23-13-16-7-10(14-5-15-11(7)21)17(13)12-9(20)8(19)6(4-18)22-12/h2,5-6,8-9,12,18-20H,1,3-4H2,(H,14,15,21)