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

Systemtic Name: 9-[3-ethylsulfanyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3-(ethylthio)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[3-(ethylthio)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)O

Isomeric SMILES

CCSC1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)O

InChI

InChI=1S/C12H16N4O4S/c1-2-21-9-8(18)6(3-17)20-12(9)16-5-15-7-10(16)13-4-14-11(7)19/h4-6,8-9,12,17-18H,2-3H2,1H3,(H,13,14,19)