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

Systemtic Name: 2-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]ethanethial Openeye Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]ethanethial CAS Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]ethanethial IUPAC Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]ethanethial Traditional Name: 2-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-8-yl]thioacetaldehyde Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)CC=S

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)CC=S

InChI

InChI=1S/C12H15N5O4S/c13-10-7-11(15-4-14-10)17(6(16-7)1-2-22)12-9(20)8(19)5(3-18)21-12/h2,4-5,8-9,12,18-20H,1,3H2,(H2,13,14,15)