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

Systemtic Name: 8-ethylsulfanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-ethylsulfanyl-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(ethylthio)-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-ethylsulfanyl-3H-purin-6-one Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(ethylthio)-3H-purin-6-one Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5S/c1-2-22-12-15-6-9(13-4-14-10(6)20)16(12)11-8(19)7(18)5(3-17)21-11/h4-5,7-8,11,17-19H,2-3H2,1H3,(H,13,14,20)