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

Systemtic Name: 2-azanyl-8-ethylsulfanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-ethylsulfanyl-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(ethylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-ethylsulfanyl-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(ethylthio)-3H-purin-6-one Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O5S/c1-2-23-12-14-5-8(15-11(13)16-9(5)21)17(12)10-7(20)6(19)4(3-18)22-10/h4,6-7,10,18-20H,2-3H2,1H3,(H3,13,15,16,21)